숙시남산

Succinamic acid

HCID 12522CAS 638-32-4

기본 정보

표준 SMILES: NC(=O)CCC(=O)O
InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N
분자식: C4H7NO3
평균 분자량: 117.1 g/mol
단동위원소 질량: 117.04259308

개요

Succinamic acid is a dicarboxylic acid monoamide of succinic acid. It has a role as a metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a succinamate.

이름 및 식별자

우선 이름: Succinamic acid
IUPAC: 4-amino-4-oxobutanoic acid
현지명: 숙시남산
영어명: Succinamic acid
분자식: C4H7NO3
분자량: 117.1

이름 및 동의어

SUCCINAMIC ACID638-32-44-Amino-4-oxobutanoic acidButanoic acid, 4-amino-4-oxo-3-carbamoylpropanoic acidsuccinic acid monoamideEINECS 211-331-7W1VBK275PQCHEBI:50398DTXSID70213241NSC-78416UNII-W1VBK275PQ

이름 더 보기

숙시남산Succinamidic acidSuccinic monoamideSuccinamic acid,97%Succinamic acid 97%SuccinaMic acid, 97% 5GR4-Oxo-4-aminobutyric acidButanedioic acid monoamide

NSC 78416Succinate monoamideRefChem:186328DTXCID70135732211-331-7JDVPQXZIJDEHAN-UHFFFAOYSA-NMFCD00008041SCHEMBL36056

데이터베이스 식별자

CAS: 638-32-4
PubChem CID: 12522
DTXSID: DTXSID70213241
ChEBI: CHEBI:50398
UNII: W1VBK275PQ
EC Number: 211-331-7
Nikkaji: J6.922A

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 80.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 153 · 153-156 °C (lit.)
끓는 점: 218.88 °C · 218.88°C (rough estimate)
밀도: 1.3886 · 1.3886 (rough estimate)
굴절률: 1.454 · 1.4540 (estimate)
산도 계수 (pKa): 1 · pK1:4.39(0) (25°C)
물리적 상태: 결정질 분말 또는 바늘
색상: 하얀색
BRN: 1754021 · 1754021
InChI: 1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N
SMILES: NC(=O)CCC(O)=O

화학적 성질

white crystalline powder or needles

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.