CAS 391200-37-6 tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate (HCID 11593669)

기본 정보

CAS: 391200-37-6
표준 SMILES: CC(CO)(CO)NC(=O)OC(C)(C)C
InChIKey: ZBZMCDFHJKDEBS-UHFFFAOYSA-N
분자식: C9H19NO4
평균 분자량: 205.25 g/mol

이름 및 식별자

우선 이름: tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
IUPAC: tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
현지명: 카르밤산,[2-히드록시-1-(히드록시메틸)-1-메틸에틸]-,1,1-디메틸에틸
영어명: Carbamic acid, [2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-, 1,1-dimethylethyl
분자식: C9H19NO4
분자량: 205.25

이름 및 동의어

391200-37-6tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamateRefChem:895204966-228-61,1-Dimethylethyl N-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]carbamateTERT-BUTYL (1,3-DIHYDROXY-2-METHYLPROPAN-2-YL)CARBAMATECarbamic acid, [2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-, 1,1-dimethylethylSCHEMBL555022-(tert-butoxycarbonylamino)-2-methyl-1,3-propanediolZBZMCDFHJKDEBS-UHFFFAOYSA-NMFCD04974318AKOS017552605

이름 더 보기

카르밤산,[2-히드록시-1-(히드록시메틸)-1-메틸에틸]-,1,1-디메틸에틸Carbamic acid, N-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-, 1,1-dimethylethyl ester

G80169EN300-42634552-t-butoxycarbonylamino-2-methylpropane-1,3-diolt-Butyl (1,3-dihydroxy-2-methylpropan-2-yl)carbamate

데이터베이스 식별자

CAS: 391200-37-6
PubChem CID: 11593669
EC Number: 966-228-6
Nikkaji: J1.612.825B

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 78.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 80 · 80-81 °C
끓는 점: 366.7 · 366.7±32.0 °C(Predicted)
밀도: 1.112 · 1.112±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.45 · 11.45±0.46(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.