기본 정보
- 표준 SMILES
Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
GADGMZDHLQLZRI-VIFPVBQESA-N- 분자식
- C12H14N2O5
- 평균 분자량
- 266.25 g/mol
- 단동위원소 질량
- 266.09027155
이름 및 식별자
- 우선 이름
- N-(4-Aminobenzoyl)-L-glutamic acid
- IUPAC
- (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4271-30-1- PubChem CID
- 196473
- DTXSID
DTXSID10873641- ChEMBL
CHEMBL3278332- ChEBI
CHEBI:61114- UNII
- 9BKY99A8HJ
- EC Number
- 224-261-7
- Nikkaji
- J15.173D
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 350
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (33.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.
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