CAS 119-62-0 2-Amino-1-(4-nitrophenyl)-1,3-propanediol (HCID 92743)

기본 정보

CAS: 119-62-0
표준 SMILES: NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChIKey: OCYJXSUPZMNXEN-UHFFFAOYSA-N
분자식: C9H12N2O4
평균 분자량: 212.2 g/mol
단동위원소 질량: 212.07970687

이름 및 식별자

우선 이름: 2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC: 2-amino-1-(4-nitrophenyl)propane-1,3-diol
현지명: 2-아미노-1-(4-니트로페닐)-1,3-프로판디올
영어명: 2-Amino-1-(4-nitrophenyl)-1,3-propanediol
분자식: C9H12N2O4
분자량: 212.2

이름 및 동의어

119-62-02-Amino-1-(4-nitrophenyl)-1,3-propanediol1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-8FB0B566G6NSC-1639511-(4'-Nitrophenyl)-2-aminopropane-1,3-diolDTXSID501020866para-nitrophenylserinalRefChem:407564DTXCID302227332-amino-1-nitrophenylpropane-1,3-diol1-(4-nitrophenyl)-1,3-dihydroxypropylamine

이름 더 보기

2-아미노-1-(4-니트로페닐)-1,3-프로판디올NSC1639512-Amino-3-(4-nitrophenyl)-1,3-propanediol2-Amino-1-(4-nitrophenyl)-1,3-Propanediol (DL-)D-(-)-Three-1-[4-Nitrophenyl]-2-AMino-1,3-Propanediol2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL(DL-)/S-BASE2-amino-1-(4-nitrophenyl) propane-1,3-diolQ: What is 2-amino-1-(4-nitrophenyl) propane-1,3-diol Q: What is the CAS Number of 2-amino-1-(4-nitrophenyl) propane-1,3-diol

204-338-12-Amino-1-(4-nitrophenyl)propane-1,3-diol1-(p-Nitrophenyl)-2-amino-1,3-propanediol3689-55-21,3-Propanediol,2-amino-1-(4-nitrophenyl)-1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, nitrate(1:1)dextramineEINECS 204-338-1

데이터베이스 식별자

CAS: 119-62-0、2964-48-9、3689-55-2
PubChem CID: 92743
DTXSID: DTXSID501020866
ChEMBL: CHEMBL25280
UNII: 8FB0B566G6
EC Number: 204-338-1、222-997-3
Nikkaji: J60.114D

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 112 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 163 · 163-165 °C
끓는 점: 451.9 · 451.9±45.0 °C(Predicted)
밀도: 1.41 · 1.410±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.98 · 10.98±0.45(Predicted)
InChI: InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
InChIKey: OCYJXSUPZMNXEN-UHFFFAOYSA-N
SMILES: C(C1=CC=C([N+]([O-])=O)C=C1)(O)C(N)CO
NIST: 1 · 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-(119-62-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

화학 및 산업

상·하류 제품 정보

하류 제품

4-니트로안식향산

공급사29 곳

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