n-benzyliminodiacetic acid

Modify Date: 2026-07-01 16:00:48

n-benzyliminodiacetic acid Structure
n-benzyliminodiacetic acid structure
 Common Name n-benzyliminodiacetic acid
CAS Number 3987-53-9 Molecular Weight 223.22500
Density 1.326g/cm3 Boiling Point 420.9ºC at 760mmHg
Molecular Formula C11H13NO4 Melting Point 200-202 °C (dec.)(lit.)
MSDS Chinese USA Flash Point 208.3ºC
Symbol GHS07
GHS07		 Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-[benzyl(carboxymethyl)amino]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.326g/cm3
Boiling Point 420.9ºC at 760mmHg
Melting Point 200-202 °C (dec.)(lit.)
Molecular Formula C11H13NO4
Molecular Weight 223.22500
Flash Point 208.3ºC
Exact Mass 223.08400
PSA 77.84000
LogP 0.65780
Index of Refraction 1.586
InChIKey SZQUPQVVCLFZLC-UHFFFAOYSA-N
SMILES O=C(O)CN(CC(=O)O)Cc1ccccc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2922499990

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Benzylamine structure

Benzylamine

CAS#:100-46-9

~82%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Smrecki, Neven; Kukovec, Boris-Marko; Dakovic, Marijana; Popovic, Zora Inorganica Chimica Acta, 2013 , vol. 400, p. 122 - 129
Iminodiacetic acid structure

Iminodiacetic acid

CAS#:142-73-4

~63%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Ram, Siya; Spicer, Leonard D. Tetrahedron Letters, 1987 , vol. 28, # 5 p. 515 - 516
Bromoacetic acid structure

Bromoacetic acid

CAS#:79-08-3

Benzylamine structure

Benzylamine

CAS#:100-46-9

~78%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Wiegerinck, Peter; Post, Olaf; Hofstede, Leontine; Heuvel, Marcel van den Journal of Labelled Compounds and Radiopharmaceuticals, 2002 , vol. 45, # 13 p. 1169 - 1171
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Benzylamine hydrochloride structure

Benzylamine hyd...

CAS#:3287-99-8

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Ziemlak et al. Journal of Organic Chemistry, 1950 , vol. 15, p. 255,257
3-[BENZYL-(2-CYANO-ETHYL)-AMINO]-PROPIONITRILE structure

3-[BENZYL-(2-CY...

CAS#:16728-92-0

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Dubsky Chemische Berichte, 1921 , vol. 54, p. 2676
Benzyl chloride structure

Benzyl chloride

CAS#:100-44-7

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Dubsky Chemische Berichte, 1921 , vol. 54, p. 2676
Chloroacetic acid structure

Chloroacetic acid

CAS#:79-11-8

Benzylamine structure

Benzylamine

CAS#:100-46-9

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Chase; Downes Journal of the Chemical Society, 1953 , p. 3874,3876 Full Text Show Details Lastowskii et al. Zhurnal Analiticheskoi Khimii, 1958 , vol. 13, p. 31,32,33;engl.Ausg.S.29,33
Sodium chloroacetate structure

Sodium chloroacetate

CAS#:3926-62-3

Benzylamine structure

Benzylamine

CAS#:100-46-9

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Israeli,M.; Pettit,L.D. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1975 , p. 414 - 417
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Benzylamine structure

Benzylamine

CAS#:100-46-9

~%

n-benzyliminodiacetic acid Structure

n-benzyliminodi...

CAS#:3987-53-9

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Literature: Wolf,L.; Holzapfel,H. Zeitschrift fuer Chemie (Stuttgart, Germany), 1962 , vol. 2, p. 374 - 375

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 n-benzyliminodiacetic acidBioassay

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

N-Benzyliminodiacetic Acid
N-(benzyl)iminodiacetic acid
MFCD00004285
EINECS 223-631-5
2,2'-(benzylimino)diacetic acid
N-Benzylaminodiacetic acid
2-[(carboxymethyl)benzylamino]acetic acid
benzyliminodiacetic acid

 n-benzyliminodiacetic acid | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: InChIKey of 2-[benzyl(carboxymethyl)amino]acetic acid is SZQUPQVVCLFZLC-UHFFFAOYSA-N.
Q: What is the melting point of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Melting point of 2-[benzyl(carboxymethyl)amino]acetic acid is 200-202 °C (dec.)(lit.).
Q: What is the SMILES notation of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: SMILES notation of 2-[benzyl(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1ccccc1.
Q: What are the upstream materials of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Related upstream materials(CAS) of 2-[benzyl(carboxymethyl)amino]acetic acid: 100-46-9;142-73-4;79-08-3;50-00-0;143-33-9;3287-99-8;16728-92-0;100-44-7;79-11-8;3926-62-3.
Q: What are the downstream products of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Related downstream products(CAS) of 2-[benzyl(carboxymethyl)amino]acetic acid: 106148-27-0;50-00-0;17136-36-6;100-52-7;124-40-3;103-67-3;21091-60-1;142-73-4;35975-17-8;13480-11-0.
Q: What is the polar surface area (PSA) of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Polar surface area (PSA) of 2-[benzyl(carboxymethyl)amino]acetic acid is 77.84000.
Q: What is the boiling point of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Boiling point of 2-[benzyl(carboxymethyl)amino]acetic acid is 420.9ºC at 760mmHg.
Q: What is the molecular formula of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: Molecular formula of 2-[benzyl(carboxymethyl)amino]acetic acid is C11H13NO4.
Q: What is the English name of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: The English name of 2-[benzyl(carboxymethyl)amino]acetic acid is 2-[benzyl(carboxymethyl)amino]acetic acid.
Q: What is the LogP of 2-[benzyl(carboxymethyl)amino]acetic acid?
A: LogP of 2-[benzyl(carboxymethyl)amino]acetic acid is 0.65780.

 n-benzyliminodiacetic acidfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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