tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate

HCID 43094068

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1036474-23-3
표준 SMILES: CC(C)(C)OC(=O)NC(CN)c1cccc(C(F)(F)F)c1
InChIKey: USUBNRBRRIRPTA-UHFFFAOYSA-N
분자식: C14H19F3N2O2
평균 분자량: 304.31 g/mol

이름 및 식별자

우선 이름: tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate
IUPAC: tert-butyl N-[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

이름 및 동의어

1036474-23-3tert-butyl n-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamatetert-butyl N-(2-amino-1-(3-(trifluoromethyl)phenyl)ethyl)carbamateRefChem:895593849-959-4TERT-BUTYL (2-AMINO-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)CARBAMATEtert-Butyl {2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamateSCHEMBL10216739AKOS009153736AT27242EN300-1881072tert-butylN-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate

데이터베이스 식별자

CAS: 1036474-23-3
PubChem CID: 43094068
EC Number: 849-959-4

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 353

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.