카르밤산,(3-히드록시-2,2-디메틸프로필)-,1,1-디메틸에틸에스테르(9CI)

tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

HCID 21263232

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 184357-44-6
표준 SMILES: CC(C)(CO)CNC(=O)OC(C)(C)C
InChIKey: BHIGZYWRVWZUHG-UHFFFAOYSA-N
분자식: C10H21NO3
평균 분자량: 203.28 g/mol
단동위원소 질량: 203.15214353

이름 및 식별자

우선 이름: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
IUPAC: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
현지명: 카르밤산,(3-히드록시-2,2-디메틸프로필)-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)
분자식: C10H21NO3
분자량: 203.28

이름 및 동의어

TERT-BUTYL N-(3-HYDROXY-2,2-DIMETHYLPROPYL)CARBAMATERefChem:895973863-910-4184357-44-63-(Boc-amino)-2,2-dimethyl-1-propanoltert-Butyl (3-hydroxy-2,2-dimethylpropyl)carbamatetert-Butyl 3-Hydroxy-2,2-dimethylpropylcarbamateMFCD09951814Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)3-(Boc-amino)-2,2-dimethylpropanoltert-Butyl3-hydroxy-2,2-dimethylpropylcarbamateCARBAMIC ACID, (3-HYDROXY-2,2-DIMETHYLPROPYL)-, 1,1-DIMETHYLETHYL ESTER

이름 더 보기

카르밤산,(3-히드록시-2,2-디메틸프로필)-,1,1-디메틸에틸에스테르(9CI)tert-Butyl (3-hydroxy-2,2-dimethylpropyl)tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate - [B21981]Carbamic acid, N-(3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester

SCHEMBL571043DTXSID80611754BHIGZYWRVWZUHG-UHFFFAOYSA-NAKOS015910349AB55261GS-60013-(Boc-amino)-22-dimethyl-1-propanolSY023898

데이터베이스 식별자

CAS: 184357-44-6
PubChem CID: 21263232
DTXSID: DTXSID80611754
EC Number: 863-910-4

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 194

물리화학적 성질

끓는 점: 311 · 311.0±25.0 °C(Predicted)
밀도: 0.998 · 0.998±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.67 · 12.67±0.46(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.