(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol

Modify Date: 2025-08-23 21:05:39

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure
(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol structure
 Common Name (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol
CAS Number 149-95-1 Molecular Weight 169.17800
Density 1.397g/cm3 Boiling Point 442.6ºC at 760mmHg
Molecular Formula C8H11NO3 Melting Point N/A
MSDS N/A Flash Point 221.5ºC

 Names

Name (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.397g/cm3
Boiling Point 442.6ºC at 760mmHg
Molecular Formula C8H11NO3
Molecular Weight 169.17800
Flash Point 221.5ºC
Exact Mass 169.07400
PSA 86.71000
LogP 0.79020
Vapour Pressure 1.3E-08mmHg at 25°C
Index of Refraction 1.659
InChIKey SFLSHLFXELFNJZ-MRVPVSSYSA-N
SMILES NCC(O)c1ccc(O)c(O)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DN6125000
CHEMICAL NAME :
Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (+)-
CAS REGISTRY NUMBER :
149-95-1
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H11-N-O3
MOLECULAR WEIGHT :
169.20
WISWESSER LINE NOTATION :
Z1YQR CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - inflammation, necrosis, or scarring of bladder
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949

 Safety Information

HS Code 2922509090

 Synthetic Route

R,S-2,2'-dinitrobiphenyl-6,6'-dicarbonsaeure-di-N,N'-1-(3,4-dihydroxyphenyl)-1-hydroxy-2-amido-ethan structure

R,S-2,2'-dinitr...

CAS#:104819-57-0

~53%

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Muller; Keil; Gerhard Tetrahedron, 1986 , vol. 42, # 5 p. 1529 - 1532
Glycine structure

Glycine

CAS#:56-40-6

3,4-Dihydroxybenzaldehyde structure

3,4-Dihydroxybe...

CAS#:139-85-5

~%

Norepinephrine structure

Norepinephrine

CAS#:51-41-2

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Steinreiber, Johannes; Schuermann, Martin; Van Assema, Friso; Wolberg, Michael; Fesko, Kateryna; Reisinger, Christoph; Mink, Daniel; Griengl, Herfried Advanced Synthesis and Catalysis, 2007 , vol. 349, # 8-9 p. 1379 - 1386
Arterenon structure

Arterenon

CAS#:5090-29-9

~%

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Muller; Keil; Gerhard Tetrahedron, 1986 , vol. 42, # 5 p. 1529 - 1532
R,S-2,2'-dinitrobiphenyl-6,6'-dicarbonsaeure-di-N,N'-1-(3,4-dihydroxyphenyl)-1-oxo-2-amido-ethan structure

R,S-2,2'-dinitr...

CAS#:104819-55-8

~%

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Muller; Keil; Gerhard Tetrahedron, 1986 , vol. 42, # 5 p. 1529 - 1532
Norepinephrine structure

Norepinephrine

CAS#:138-65-8

~%

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Tullar Journal of the American Chemical Society, 1948 , vol. 70, p. 2067,2068
Norepinephrine structure

Norepinephrine

CAS#:138-65-8

Guaiacol acetate structure

Guaiacol acetate

CAS#:26164-26-1

~%

(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol Structure

(S)-4-(2-amino-...

CAS#:149-95-1

Literature: Farbw. Hoechst Patent: US2820827 , 1954 ; Full Text Show Details Farbw. Hoechst Patent: DE1010533 , 1953 ;

 Customs

HS Code 2922509090
Summary 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Bioassay

View more

Name: Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (E...
Source: NCGC
External Id: epac1-activator-v
Name: Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 3...
Source: NCGC
External Id: epac1-inhibitor-v
Name: Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (E...
Source: NCGC
External Id: epac2-activator-v2
Name: Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4...
Source: NCGC
External Id: epac2-inhibitor-v2
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2Venus
Name: Agonist activity at adrenergic receptor in rat vas deferens at 0.165 ug/ml
Source: ChEMBL
Target: N/A
External Id: CHEMBL3285594
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 Synonyms

pd 123,319 ditrifluoroacetate potent and selective
pd 123,319
EINECS 205-750-4
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Chemsrc provides CAS#:149-95-1 MSDS, density, melting point, boiling point, structure, etc. Its name is (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol>> amp version: (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol

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