Dl-Tryptophan

HCID 1148CAS 27813-82-7

基本情報

標準SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIKey: QIVBCDIJIAJPQS-UHFFFAOYSA-N
分子式: C11H12N2O2
平均分子量: 204.22 g/mol
単同位体質量: 204.08987762

概要

Tryptophan is an alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. It has a role as a Daphnia magna metabolite. It is a polar amino acid, an alpha-amino acid, an aromatic amino acid and an aminoalkylindole. It contains a 1H-indol-3-ylmethyl group. It is a conjugate base of a tryptophanium. It is a conjugate acid of a tryptophanate. It is a tautomer of a tryptophan zwitterion.

名称と識別子

優先名称: Dl-Tryptophan
IUPAC: 2-amino-3-(1H-indol-3-yl)propanoic acid
英語名: POLY-L-TRYPTOPHAN
分子式: C11H12N2O2
分子量: 204.22518

名称と別名

DL-Tryptophan2-amino-3-(1H-indol-3-yl)propanoic acid(+-)-TryptophanTryptophan, DLTRYPTOPHAN, DL-CCRIS 719NSC 13118DTXSID0021418EINECS 200-194-9AI3-24395X9U7434L7ANSC-13118

名称をさらに表示

Poly(Try)POLY-L-TRYPTOPHANpoly-l-TryptophanMW1000-5000poly-L-tryptophan mol wt 15000-50000poly-L-tryptophan mol. wt. 1,000-5,000

DL-TRYPTOPHAN [FCC]DTXCID401418DLTrytophaneDL3betaIndolylalanineRefChem:589984DLalphaAmino3indolepropionic acid200-194-954-12-6

データベース識別子

CAS: 27813-82-7、54-12-6、73-22-3
PubChem CID: 1148
DTXSID: DTXSID0021418
ChEMBL: CHEMBL484901
ChEBI: CHEBI:27897
UNII: X9U7434L7A
EC Number: 200-194-9
Nikkaji: J314.694D

物性

構造計算による物性

XLogP: -1.1
極性表面積: 79.1 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 245

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

LogP-1.05

Boiling Point289.00 to 291.00 °C. @ 760.00 mm Hg

Melting Point293 °C

Physical Description · 2 件

Beige powder; [Sigma-Aldrich MSDS]

Solid

Dissociation Constants · 2 件

2.3

9.3

物理化学的性質

貯蔵温度: 20 °C · −20°C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.

Warning

H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.