2-Naphthylalanine

HCID 185915CAS 58438-03-2

기본 정보

표준 SMILES: N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIKey: JPZXHKDZASGCLU-LBPRGKRZSA-N
분자식: C13H13NO2
평균 분자량: 215.25 g/mol
단동위원소 질량: 215.09462866

개요

3-naphthalen-2-yl-L-alanine is a 3-naphthalen-2-ylalanine that has L-confliguration. It is an enantiomer of a 3-naphthalen-2-yl-D-alanine.

이름 및 식별자

우선 이름: 2-Naphthylalanine
IUPAC: (2S)-2-amino-3-naphthalen-2-ylpropanoic acid
영어명: 3-(2-Naphthyl)-L-alanine
분자식: C13H13NO2
분자량: 215.25

이름 및 동의어

58438-03-22-naphthylalaninebeta-2-naphthyl-l-alanineL-beta-(2-Naphthyl)alanine2-naphthalanineW425Q6KV9RJ353.121J2-Naphthalenepropanoic acid, alpha-amino-, (alphaS)-Nap amino acidRefChem:4771273-(2-Naphthyl)-L-alanineH-2-Nal-OH

이름 더 보기

L-2-Nal-OH3-(2-NAPHTHYL)-L-ALANINE HCL(S)-2-AMINO-3-(NAPHTHALEN-2-YL)PROPANOIC ACID HYDROCHLORIDENaphthyl LH-2-Nal-OH·HClL-2-Napthyl alanine2-Naphthyl-L-AlanineL-Ala(2-naphthyl)-OH3-(2-phthyl)-L-alanine3-Naphth-2-yl-L-alanine

(S)-2-Amino-3-(naphthalen-2-yl)propanoic acidl-2-naphthylalanine(2S)-2-amino-3-naphthalen-2-ylpropanoic acidL-3-(2-Naphthyl)-alanine(2S)-2-amino-3-(2-naphthyl)propanoic acidBETA-(2-NAPHTHYL)-ALANINEMFCD00066087L-3-(2-NAPHTHYL)ALANINE

데이터베이스 식별자

CAS: 58438-03-2
PubChem CID: 185915
DTXSID: DTXSID20973984
ChEMBL: CHEMBL1234619
ChEBI: CHEBI:44170
UNII: W425Q6KV9R
EC Number: 611-652-6
Nikkaji: J353.121J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 254

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 240 °C · 240°C(dec.)(lit.)
끓는 점: 355.53 °C · 355.53°C (rough estimate)
밀도: 1.1242 · 1.1242 (rough estimate)
굴절률: 1.548 · 1.5480 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 1 mol/L · 1mol/L NaOH에 용해됩니다.
산도 계수 (pKa): 2.21 · 2.21±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 회백색

화학적 성질

off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29224999
hazard_code: Xi
safety_code: 24/25

화학 및 산업

응용 분야

용도3-(2-Naphthyl)-L-alanine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.