CAS 192323-07-2 1,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate (HCID 21882540)

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기본 정보

CAS: 192323-07-2
표준 SMILES: CC(C)(C)OC(=O)NCC1CCC(N)CC1
InChIKey: HMMYZMWDTDJTRR-UHFFFAOYSA-N
분자식: C12H24N2O2
평균 분자량: 228.33 g/mol
단동위원소 질량: 228.18377801

개요

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이름 및 식별자

우선 이름: 1,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate
IUPAC: tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate
현지명: TERT-부틸트랜스-4-아미노사이클로헥실메틸카바메이트
영어명: tert-Butyl trans-4-aminocyclohexylmethylcarbamate
분자식: C12H24N2O2
분자량: 228.33

이름 및 동의어

296270-94-5RefChem:10518181,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate192323-07-2866548-92-7CIS-4-(BOC-AMINOMETHYL)CYCLOHEXYLAMINEtert-Butyl ((trans-4-aminocyclohexyl)methyl)carbamate4-(Boc-aminomethyl)-cyclohexylamineTERT-BUTYL TRANS-4-AMINOCYCLOHEXYLMETHYLCARBAMATEtert-butyl N-[(4-aminocyclohexyl)methyl]carbamatetert-Butyl ((cis-4-aminocyclohexyl)methyl)carbamatetrans-4-(Boc-aminomethyl)cyclohexylamine

이름 더 보기

TERT-부틸트랜스-4-아미노사이클로헥실메틸카바메이트tert-Butyl ((trans-4-aminocyclohexyl)trans-4-(Boc-aMinoMethyl)cyclohexylaMine, 97%(4-Amino-cyclohexylmethyl)-carbamic acid tert-butyl esterCarbamic acid,N-[(trans-4-aminocyclohexyl)methyl]-, 1,1-dimethylethyl ester

MFCD22395596tert-Butyl ((4-aminocyclohexyl)methyl)carbamateMFCD06657670MFCD12408630tert-butyl trans-N-[(4-aminocyclohexyl)methyl]carbamatetert-Butyl [(4-aminocyclohexyl)methyl]carbamateCarbamic acid, (4-aminocyclohexyl)methyl-, 1,1-dimethylethyl esterTERT-BUTYL N-{[(1R,4R)-4-AMINOCYCLOHEXYL]METHYL}CARBAMATE

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 338.7 · 338.7±15.0 °C(Predicted)
밀도: 0.992 · 0.992±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 12.81 · 12.81±0.46(Predicted)
수용성: 물에 약간 용해됩니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.