(S)-1-아미노-3-클로로-2-프로판올염산염

1-Amino-3-chloro-2-propanol hydrochloride, (S)-

HCID 135010CAS 34839-13-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.NC[C@H](O)CCl
InChIKey: ZCPJBHYNOFIAPJ-AENDTGMFSA-N
분자식: C3H9Cl2NO
평균 분자량: 146.01 g/mol
단동위원소 질량: 145.00611927

이름 및 식별자

우선 이름: 1-Amino-3-chloro-2-propanol hydrochloride, (S)-
IUPAC: (2S)-1-amino-3-chloropropan-2-ol;hydrochloride
현지명: (S)-1-아미노-3-클로로-2-프로판올염산염
영어명: (S)-1-Amino-3-chloro-2-propanol hydrochloride
분자식: C3H9Cl2NO
분자량: 146.01

이름 및 동의어

34839-13-9(S)-1-Amino-3-chloro-2-propanol hydrochloride(-)-1-Amino-3-chloro-2-propanol hydrochloride1-Amino-3-chloro-2-propanol hydrochloride, (S)-UNII-6H2E3OXB136H2E3OXB132-Propanol, 1-amino-3-chloro-, hydrochloride, (S)-(2S)-1-amino-3-chloro-2-propanol hydrochloride1-AMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE, (-)-1-AMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE, (2S)-2-PROPANOL, 1-AMINO-3-CHLORO-, HYDROCHLORIDE (1:1), (2S)-RefChem:196996

이름 더 보기

(S)-1-아미노-3-클로로-2-프로판올염산염Linezolid Impurity 83Linezolid Impurity 26 HClLinezolid Impurity(Hydrochloride）(S)-1-AMINO-3-CHLORO-2-PROPANOL HCLLinezolid Impurity 65 Hydrochloride(2S)-1-Amino-3-chloro-2-propanol HCl(S)-3-Chloro-1-Amino-2-Propanol Chloride

(S)-1-Amino-3-chloropropan-2-ol hydrochlorideMFCD09056870(2S)-1-amino-3-chloropropan-2-ol hydrochlorideC3H9Cl2NO(2S)-1-amino-3-chloropropan-2-ol;hydrochloride(2S)-1-AMINO-3-CHLORO-PROPAN-2-OL HYDROCHLORIDE2-Propanol,2-Propanol, 1-amino-3-chloro-, hydrochloride, (2S)-

데이터베이스 식별자

CAS: 34839-13-9
PubChem CID: 135010
DTXSID: DTXSID101350433
UNII: 6H2E3OXB13
EC Number: 810-453-3

물성

구조 계산 물성

극성 표면적: 46.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 34

물리화학적 성질

녹는점: 131 °C · >131°C (dec.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H/t3-;/s3
InChIKey: ZCPJBHYNOFIAPJ-OQFXAWDINA-N
SMILES: [C@H](O)(CN)CCl.Cl |&1:0,r|

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.