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

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

(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

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

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

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

HS Code	2922509090

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

CAS#:104819-57-0

~53%

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

CAS#:149-95-1

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

Glycine

CAS#:56-40-6

3,4-Dihydroxybe...

CAS#:139-85-5

Norepinephrine

CAS#:51-41-2

(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

CAS#:5090-29-9

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

CAS#:149-95-1

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

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

CAS#:104819-55-8

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

CAS#:149-95-1

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

Norepinephrine

CAS#:138-65-8

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

CAS#:149-95-1

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

Norepinephrine

CAS#:138-65-8

Guaiacol acetate

CAS#:26164-26-1

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

CAS#:149-95-1

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

Precursor 6
CAS#:104819-57-0 R,S-2,2'-dinitr... CAS#:56-40-6 Glycine CAS#:139-85-5 3,4-Dihydroxybe... CAS#:5090-29-9 Arterenon
CAS#:138-65-8 Norepinephrine CAS#:26164-26-1 Guaiacol acetate
DownStream 0

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%

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

Total 20, Current Page 1 of 2

pd 123,319 ditrifluoroacetate potent and selective

pd 123,319

EINECS 205-750-4

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.