p-Nitro-D-phenylalanine

HCID 679497CAS 56613-61-7

기본 정보

표준 SMILES: N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: GTVVZTAFGPQSPC-MRVPVSSYSA-N
분자식: C9H10N2O4
평균 분자량: 210.19 g/mol
단동위원소 질량: 210.0640568

이름 및 식별자

우선 이름: p-Nitro-D-phenylalanine
IUPAC: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid
영어명: 4-Nitro-D-phenylalanine hydrate
분자식: C9H10N2O4
분자량: 210.19

이름 및 동의어

56613-61-7p-Nitro-D-PhenylalanineRefChem:10942014-Nitro-D-phenylalanineH-D-Phe(4-NO2)-OH(2R)-2-amino-3-(4-nitrophenyl)propanoic acid(R)-2-amino-3-(4-nitrophenyl)propanoic acidMFCD00066016D-4-NitropheD-Phenylalanine, 4-nitro-4-nitro-phenylalanined-4-nitrophenylalanine

이름 더 보기

Nitro DZ-Arg.HClD-4-NO2-Phe-OHD-(P-NO2)PHE-OHD-Phe(4-NO2)·H2OH-D-PHE(P-NO2)-OH

H-p-Nitro-D-Phe-OHD-Phe(4-NO2)-OHSCHEMBL5033123-(4-Nitrophenyl)-D-alanineSCHEMBL12463780DTXSID60350452GTVVZTAFGPQSPC-MRVPVSSYSA-NH-D-Phe(4-NO2)-OH H2O

데이터베이스 식별자

CAS: 56613-61-7
PubChem CID: 679497
DTXSID: DTXSID60350452
EC Number: 677-824-8
Nikkaji: J232.140H

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 243

물리화학적 성질

녹는점: 238 · 238-240 °C (decomp)
끓는 점: 414.1 · 414.1±35.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 2.12 · 2.12±0.10(Predicted)
물리적 상태: 가루
색상: 회백색
BRN: 3205966 · 3205966
주요 응용: 펩타이드 합성
InChI: 1S/C9H10N2O4.H2O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H2/t8-;/m1./s1
InChIKey: OLZDHJRNUIXKLU-DDWIOCJRSA-N
SMILES: O.N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O

화학적 성질

Off-White Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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 4 reports by companies from 1 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.