CAS 115198-80-6 tert-Butyl N-(2-oxiranylmethyl)carbamate (HCID 11062891)

기본 정보

CAS: 115198-80-6
표준 SMILES: CC(C)(C)OC(=O)NCC1CO1
InChIKey: ZBBGKXNNTNBRBH-UHFFFAOYSA-N
분자식: C8H15NO3
평균 분자량: 173.21 g/mol

이름 및 식별자

우선 이름: tert-Butyl N-(2-oxiranylmethyl)carbamate
IUPAC: tert-butyl N-(oxiran-2-ylmethyl)carbamate
영어명: TERT-BUTYL N-(2-OXIRANYLMETHYL)CARBAMATE
분자식: C8H15NO3
분자량: 173.21

이름 및 동의어

115198-80-6tert-Butyl N-(2-oxiranylmethyl)carbamateRefChem:895761624-784-4Tert-butyl N-(oxiran-2-ylmethyl)carbamatetert-Butyl (oxiran-2-ylmethyl)carbamateMFCD05664375Carbamic acid, N-(2-oxiranylmethyl)-, 1,1-dimethylethyl estertert-Butyl (2-oxiranylmethyl)carbamatetert-butyl N-[(oxiran-2-yl)methyl]carbamateN-Boc-1-(oxiran-2-yl)methanaminetert-butyl 2-oxiranylmethylcarbamate

이름 더 보기

tert-Butyl N-(2-oxiranylMethyl)carbaMate 97%Carbamic acid,N-(2-oxiranylmethyl)-, 1,1-dimethylethyl ester

(S)-1-(tert-Butoxycarbonyl)-2,3-oxiranylaminestarbld0016686SCHEMBL5904062-[(Boc-amino)methyl]-oxiraneCarbamic acid, (oxiranylmethyl)-, 1,1-dimethylethyl esterZBBGKXNNTNBRBH-UHFFFAOYSA-NN-BOC-amino-methyl-ethyl-eneoxideCarbamic acid, (oxiranylmethyl)-, 1,1-dimethylethyl ester (9CI)

데이터베이스 식별자

CAS: 115198-80-6
PubChem CID: 11062891
EC Number: 624-784-4
Nikkaji: J1.682.249C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 48 °C · 48 °C
끓는 점: 262.9 · 262.9±13.0 °C(Predicted)
밀도: 1.041 g/mL · 1.041 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4500(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 12.45 · 12.45±0.46(Predicted)
InChI: 1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey: ZBBGKXNNTNBRBH-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCC1CO1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.