Benzoguanamine

Modify Date: 2026-07-08 14:29:30

Benzoguanamine Structure
Benzoguanamine structure
 Common Name Benzoguanamine
CAS Number 91-76-9 Molecular Weight 187.201
Density 1.3±0.1 g/cm3 Boiling Point 495.8±28.0 °C at 760 mmHg
Molecular Formula C9H9N5 Melting Point 219-221 °C(lit.)
MSDS N/A Flash Point 285.8±11.2 °C

 Names

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

Name 2,4-Diamino-6-phenyl-1,3,5-triazine
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 1.3±0.1 g/cm3
Boiling Point 495.8±28.0 °C at 760 mmHg
Melting Point 219-221 °C(lit.)
Molecular Formula C9H9N5
Molecular Weight 187.201
Flash Point 285.8±11.2 °C
Exact Mass 187.085800
PSA 90.71000
LogP 1.36
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.698
InChIKey GZVHEAJQGPRDLQ-UHFFFAOYSA-N
SMILES Nc1nc(N)nc(-c2ccccc2)n1

 MSDS

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

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XY7000000
CHEMICAL NAME :
s-Triazine, 2,4-diamino-6-phenyl-
CAS REGISTRY NUMBER :
91-76-9
BEILSTEIN REFERENCE NO. :
0153223
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N5
MOLECULAR WEIGHT :
187.23
WISWESSER LINE NOTATION :
T6N CN ENJ BZ DZ FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Safety Information

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

Hazard Codes Xn:Harmful;
Risk Phrases R22;R52/53
Safety Phrases S61
WGK Germany 2
RTECS XY7000000
Packaging Group I; II; III
HS Code 29336980

 Synthetic Route

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

 Customs

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

HS Code 29336980

 BenzoguanamineBioassay

View more

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

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

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

Benzoquanamine
benzoguamamine
BENZOGUANAME
2,6-diamino-4-phenyl-1,3,5-triazine
EINECS 202-095-6
Benzoguanimine
4-imino-6-phenyl-4,5-dihydro-1,3,5-triazin-2-amine
Benzoguanamine
2,4-diamine-6-phenyl-1,3,5-triazine
Benzoguanamin
usafrh-5
6-Phenyl-1,3,5-triazine-2,4-diamine
MFCD00023187
2,4-diamino-6-phenyl[1,3,5]triazine
6-phenyl-[1,3,5]-triazine-2,4-diamine

 Benzoguanamine | FAQ

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

Q: What is the polar surface area (PSA) of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Polar surface area (PSA) of 2,4-Diamino-6-phenyl-1,3,5-triazine is 90.71000.
Q: What are the downstream products of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Related downstream products(CAS) of 2,4-Diamino-6-phenyl-1,3,5-triazine: 30805-04-0;34850-87-8;3786-23-0.
Q: What is the molecular weight of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Molecular weight of 2,4-Diamino-6-phenyl-1,3,5-triazine is 187.201.
Q: What is the melting point of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Melting point of 2,4-Diamino-6-phenyl-1,3,5-triazine is 219-221 °C(lit.).
Q: What is the boiling point of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Boiling point of 2,4-Diamino-6-phenyl-1,3,5-triazine is 495.8±28.0 °C at 760 mmHg.
Q: What is the LogP of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: LogP of 2,4-Diamino-6-phenyl-1,3,5-triazine is 1.36.
Q: What is the safety information for 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Safety information for 2,4-Diamino-6-phenyl-1,3,5-triazine: S61.
Q: What is the SMILES notation of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: SMILES notation of 2,4-Diamino-6-phenyl-1,3,5-triazine is Nc1nc(N)nc(-c2ccccc2)n1.
Q: What is the CAS number of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: CAS number of 2,4-Diamino-6-phenyl-1,3,5-triazine is 91-76-9.
Q: What is the molecular formula of 2,4-Diamino-6-phenyl-1,3,5-triazine?
A: Molecular formula of 2,4-Diamino-6-phenyl-1,3,5-triazine is C9H9N5.

 Benzoguanaminefactory

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.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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