N-(4-Nitrobenzoyl)-beta-alanine

HCID 591374CAS 59642-21-6

기본 정보

표준 SMILES: O=C(O)CCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: PDTLZWITKYGYDN-UHFFFAOYSA-N
분자식: C10H10N2O5
평균 분자량: 238.2 g/mol
단동위원소 질량: 238.05897142

이름 및 식별자

우선 이름: N-(4-Nitrobenzoyl)-beta-alanine
IUPAC: 3-[(4-nitrobenzoyl)amino]propanoic acid
영어명: N-(4-Nitrobenzoyl)-beta-alanine
분자식: C10H10N2O5
분자량: 238.2

이름 및 동의어

N-(4-Nitrobenzoyl)-beta-alanine59642-21-6DTXSID70343673RefChem:162189DTXCID50294750PDTLZWITKYGYDN-UHFFFAOYSA-N3-[(4-nitrobenzoyl)amino]propanoic acidMFCD000097943-[(4-nitrophenyl)formamido]propanoic acidb-Alanine, N-(4-nitrobenzoyl)-N-(4-NITROBENZOYL)-|A-ALANINE3-(4-nitrobenzamido)propanoic acid

이름 더 보기

TIMTEC-BB SBB0007644-Nitrobenzoyl-β-alanineN-(4-Nitrobenzoyl)-ßn-(4-nitrobenzoyl)-?-alanineN-(4-Nitrobenzoyl)-β-alanineN-(4-Nitrobenzoyl)-$b-alanineN-(4-NITROBENZOYL)-SS-ALANIINEβ-Alanine, N-(4-nitrobenzoyl)-

Balsatazide Impurity 24-nitrobenzoyl-beta-alanineSCHEMBL503535CHEMBL1650246JCA64221STR049643-(4-Nitrobenzamido)propionic AcidSTL170032

데이터베이스 식별자

CAS: 59642-21-6
PubChem CID: 591374
DTXSID: DTXSID70343673
ChEMBL: CHEMBL1650246
EC Number: 611-856-5
Nikkaji: J236.663K

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 112 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 157 · 157-160 °C(lit.)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

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

Warning

H315 (50%): 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 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 CategoriesSkin Irrit. 2 (50%)

안전 데이터

HS 번호: 2924.29.7790

화학 및 산업

응용 분야

용도N-(4-Nitrobenzoyl)-β-alanine is a reactant used in the synthesis of guanosine diphosphate β-L-fucose derivatives as selective α-1,3-Fucosyltransferase inhibitors.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]

연결된 노트

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