기본 정보
- 표준 SMILES
Cl.NCCc1ccc([N+](=O)[O-])cc1- InChIKey
JVMHULJEYUQYSH-UHFFFAOYSA-N- 분자식
- C8H11ClN2O2
- 평균 분자량
- 202.64 g/mol
이름 및 식별자
- 우선 이름
- Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
- IUPAC
- 2-(4-nitrophenyl)ethanamine;hydrochloride
이름 및 동의어
29968-78-3RefChem:563179Benzeneethanamine, 4-nitro-, hydrochloride (1:1)4-Nitrophenethylamine hydrochloride4-Nitrophenylethylamine hydrochloride4-Nitrophenethylamine HCl2-(4-Nitrophenyl)ethylamine hydrochloride2-(4-nitrophenyl)ethanamine hydrochlorideMFCD00012900Benzeneethanamine, 4-nitro-, monohydrochloride2-(4-nitrophenyl)ethanamine;hydrochloride2-(4-nitrophenyl)ethan-1-amine hydrochloride
이름 더 보기
2-(4-nitrophenyl)ethylazanium Chloride4-Nitro-phenethylamine hydrochloridep-Nitrophenethylamine, hydrochlorideSCHEMBL115247p-nitrophenethylamine hydrochlorideP-NITROPHENYLETHYLAMINE HCLp-nitrophenylethylamine hydrochloride4--Nitrophenethylamine hydrochloride
데이터베이스 식별자
- CAS
29968-78-3- PubChem CID
- 458983
- EC Number
- 249-980-3
물성
구조 계산 물성
- 극성 표면적
- 71.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 148
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7% (8 of 114) of reports.
H411 (91.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAquatic Chronic 2 (91.2%)
관련 반응
22건
연결된 노트
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