tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamate

HCID 22106830

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기본 정보

CAS: 347184-89-8
표준 SMILES: CC(C)(C)OC(=O)NC1CCCC(CO)C1
InChIKey: LBJSEPNOVVUVJA-UHFFFAOYSA-N
분자식: C12H23NO3
평균 분자량: 229.32 g/mol
단동위원소 질량: 229.1677936

이름 및 식별자

우선 이름: tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamate
IUPAC: tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamate
영어명: tert-butyl (3-(hydroxymethyl)cyclohexyl)carbamate
분자식: C12H23NO3
분자량: 229.32

이름 및 동의어

347184-89-8tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamatetert-butyl N-(3-(hydroxymethyl)cyclohexyl)carbamateRefChem:895856865-170-8tert-butyl (3-(hydroxymethyl)cyclohexyl)carbamatetert-Butyl [3-(hydroxymethyl)cyclohexyl]carbamate(3-hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl ester920966-17-2(1R,3R)-(3-Hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl ester(1R,3S)-(3-Hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl ester1702382-05-5

이름 더 보기

Carbamic acid, [3-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester (9CI)

1932044-57-9(1R,3R)-(3-Hydroxymethyl-cyclohexyl)-carbamicacidtert-butylester(1R,3S)-(3-Hydroxymethyl-cyclohexyl)-carbamicacidtert-butylestercis-(3-Hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl esterTert-Butyl Trans-(3-Hydroxymethyl)Cyclohexylcarbamate(1S,3R)-(3-Hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl esterMFCD24469643SCHEMBL2377443

데이터베이스 식별자

CAS: 347184-89-8
PubChem CID: 22106830
EC Number: 865-170-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 351.6 · 351.6±11.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
산도 계수 (pKa): 12.48 · 12.48±0.40(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.