L-(-)-Tryptophanol

HCID 6951149CAS 2899-29-8

Substructure search Find similar structures

Basic information

Standard SMILES: N[C@H](CO)Cc1c[nH]c2ccccc12
InChIKey: UDQCRUSSQAXPJY-VIFPVBQESA-N
Molecular formula: C11H14N2O
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.11061307

Names & identifiers

Preferred name: L-(-)-Tryptophanol
IUPAC: (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol
English name: L-Tryptophanol
Molecular formula: C11H14N2O
Molecular weight: 190.25

Names & synonyms

L-TryptophanolL-(-)-TryptophanolRefChem:794396678-634-82899-29-8H-Tryptophanol(S)-2-amino-3-(1H-indol-3-yl)propan-1-ol(2S)-2-amino-3-(1H-indol-3-yl)propan-1-olMFCD000379701H-Indole-3-propanol, beta-amino-, (betaS)-2-Amino-3-(1h-Indol-3-Yl)-Propan-1-OlM03450

Show more names

TRYPTOPHANOLH-Trp-olL-Trp-olL-TryptosolL-TRYTOPHANOLL-Tryptophanol 97%L-(+)-TRYPTOPHANOL

(S)-2-Amino-3-(3-indolyl)-1-propanolTryptophanol, L-L-Tryptophanol, 97%(S)-(-)-2-Amino-3-(3-indolyl)propanolSCHEMBL81822CHEMBL1222398SCHEMBL29401346EX-A14985

Database identifiers

CAS: 2899-29-8
PubChem CID: 6951149
EC Number: 678-634-8
Nikkaji: J1.362.242F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 62 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 73 · 73-77 °C (lit.)
alpha: -20.5 · -20.5 º (c=1, MeOH)
Boiling point: 444.2 · 444.2±30.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
refractive index: -21 ° · -21 ° (C=1, MeOH)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Viscous Liquid
pka: 12.85 · 12.85±0.10(Predicted)
color: Brown
optical activity: 20 · [α]20/D 20.5°, c = 1 in methanol
Water Solubility: 11.4 g/L · Soluble in water 11.4 g/L (25°C).
Major Application: peptide synthesis
InChI: 1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1
InChIKey: UDQCRUSSQAXPJY-VIFPVBQESA-N
SMILES: N[C@H](CO)Cc1c[nH]c2ccccc12
CAS DataBase Reference: 2899 · 2899-29-8(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36-36/37/39-24/25
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-41-37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313