tert-Butyl hydroxy(methyl)carbamate

HCID 272414CAS 19689-97-5

기본 정보

표준 SMILES: CN(O)C(=O)OC(C)(C)C
InChIKey: BFTVWTYYQWTLQL-UHFFFAOYSA-N
분자식: C6H13NO3
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.08954328

이름 및 식별자

우선 이름: tert-Butyl hydroxy(methyl)carbamate
IUPAC: tert-butyl N-hydroxy-N-methylcarbamate
영어명: tert-butyl hydroxy(methyl)carbamate
분자식: C6H13NO3
분자량: 147.17

이름 및 동의어

tert-butyl hydroxy(methyl)carbamateDTXSID20297596RefChem:894667DTXCID50248733860-166-219689-97-5tert-butyl N-hydroxy-N-methylcarbamateMFCD24465554N-Boc-N-methylhydroxylamineCarbamic acid, N-hydroxy-N-methyl-,1,1-dimethylethyl esterTERT-BUTYL N-HYDROXY-N-METHYL-CARBAMATENSC116783

이름 더 보기

tert-?Butyl N-?hydroxy-?N-?methylcarbamate

N-(tert-butoxycarbonyl)-N-methylhydroxylamineN-methyl-N-boc hydroxylamineSCHEMBL28394N-Boc-N-methyl hydroxylaminetert-butylhydroxy(methyl)carbamateBFTVWTYYQWTLQL-UHFFFAOYSA-NUAA68997AKOS030614432

데이터베이스 식별자

CAS: 19689-97-5
PubChem CID: 272414
DTXSID: DTXSID20297596
EC Number: 860-166-2
Nikkaji: J2.259.665I

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

끓는 점: 60 · 60-65 °C(Press: 3 Torr)
밀도: 1.083 · 1.083±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.04 · 9.04±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.