(S)-1-(4-니트로페닐)-에틸아민

(1S)-1-(4-Nitrophenyl)ethan-1-amine

HCID 1268055

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4187-53-5
표준 SMILES: C[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIKey: RAEVOBPXEHVUFY-LURJTMIESA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422757

이름 및 식별자

우선 이름: (1S)-1-(4-Nitrophenyl)ethan-1-amine
IUPAC: (1S)-1-(4-nitrophenyl)ethanamine
현지명: (S)-1-(4-니트로페닐)-에틸아민
영어명: (S)-1-(4-Nitrophenyl)-ethylamine
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

4187-53-5(1S)-1-(4-nitrophenyl)ethan-1-amineDTXSID70361438RefChem:205126DTXCID90312487(S)-1-(4-nitrophenyl)ethanamine(S)-4-Nitro-alpha-methylbenzylamine(S)-1-(4-NITROPHENYL)-ETHYLAMINE(S)-alpha-methyl-4-nitrobenzylamine(S)-1-(4-nitrophenyl)ethan-1-amine(1S)-1-(4-nitrophenyl)ethanamineMFCD00137390

이름 더 보기

(S)-1-(4-니트로페닐)-에틸아민1-(p-tolyl)ethan-1-amineS-O-NITRO-A-METHYLBENZYLAMINE(S)-(4-Nitrophenyl)ethylaMine1-(S)-4-Nitrophenyl ethylamine(S)-4-Nitro-α-methylbenzylamine

(S)-1-(4-NITROPHENYL)ETHYLAMINE1-(4-Nitrophenyl)ethanamine #NitrosolveEN300-224775SCHEMBL352795Alogliptin Related Compound 33(s)-a-methyl-4-nitrobenzylamine(S)-1-(p-nitrophenyl)ethylamine

데이터베이스 식별자

CAS: 4187-53-5
PubChem CID: 1268055
DTXSID: DTXSID70361438
EC Number: 988-830-8
Nikkaji: J257.504C

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 120 · 120-121 °C(Press: 1 Torr)
밀도: 1.199 · 1.199±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.31 · 8.31±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.