카르밤산,(3-메틸렌사이클로부틸)-,1,1-디메틸에틸에스테르(9CI)

tert-butyl N-(3-methylidenecyclobutyl)carbamate

HCID 28875369

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 130369-04-9
표준 SMILES: C=C1CC(NC(=O)OC(C)(C)C)C1
InChIKey: UKVCZCZNTKQCCW-UHFFFAOYSA-N
분자식: C10H17NO2
평균 분자량: 183.25 g/mol
단동위원소 질량: 183.12592878

이름 및 식별자

우선 이름: tert-butyl N-(3-methylidenecyclobutyl)carbamate
IUPAC: tert-butyl N-(3-methylidenecyclobutyl)carbamate
현지명: 카르밤산,(3-메틸렌사이클로부틸)-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)
분자식: C10H17NO2
분자량: 183.25

이름 및 동의어

tert-butyl N-(3-methylidenecyclobutyl)carbamateRefChem:896001694-368-5130369-04-9tert-Butyl (3-methylenecyclobutyl)carbamatetert-Butyl 3-MethylenecyclobutylcarbamateMFCD09991757(3-Methylenecyclobutyl)carbamic acidtert-butyl ester(3-Methylenecyclobutyl)carbamic acid tert butyl estertert-butyl (3-methylidenecyclobutyl)carbamateCarbaMic acid, N-(3-Methylenecyclobutyl)-, 1,1-diMethylethyl estertert-butyl N-(3-methylenecyclobutyl)carbamate

이름 더 보기

카르밤산,(3-메틸렌사이클로부틸)-,1,1-디메틸에틸에스테르(9CI)tert-Butyl (3-methylenecyclobutyl)1-(Boc-amino)-3-methylenecyclobutane 95%1,1-Dimethylethyl N-(3-methylenecyclobutyl)carbamatetert-butyl N-(3-methylenecyclobutyl)carbamate - [B82243](3-Methylenecyclobutyl)carbamic acid 1,1-dimethylethyl ester

Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)(3-Methylenecyclobutyl)carbamic acid tert-butyl esterN-Boc-3-methylene-cyclobutanamine1-(Boc-amino)-3-methylenecyclobutane(3-Methylene-cyclobutyl)-carbamic acid tert-butyl esterSCHEMBL571098N-Boc-3-methylenecyclobutanamineDTXSID20651735

데이터베이스 식별자

CAS: 130369-04-9
PubChem CID: 28875369
DTXSID: DTXSID20651735
EC Number: 694-368-5

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 95 · 95-100°C
끓는 점: 263.8 · 263.8±20.0 °C(Predicted)
밀도: 1 · 1.00±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 12.22 · 12.22±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKey: UKVCZCZNTKQCCW-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NC1CC(=C)C1