tert-부틸(trans-4-아미노메틸시클로헥실)카르바메이트

tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate

HCID 2756045

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1184918-37-3
표준 SMILES: CC(C)(C)OC(=O)NC1CCC(CN)CC1
InChIKey: NVQFOBONHIXDOC-UHFFFAOYSA-N
분자식: C12H24N2O2
평균 분자량: 228.33 g/mol
단동위원소 질량: 228.18377801

이름 및 식별자

우선 이름: tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate
IUPAC: tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate
현지명: tert-부틸(trans-4-아미노메틸시클로헥실)카르바메이트
영어명: tert-Butyl (trans-4-(aminomethyl)cyclohexyl)carbamate
분자식: C12H24N2O2
분자량: 228.33

이름 및 동의어

Tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate1184918-37-3tert-butyl N-(4-(aminomethyl)cyclohexyl)carbamateRefChem:896060866-627-4177583-27-6509143-00-4tert-Butyl (trans-4-(aminomethyl)cyclohexyl)carbamatecis-4-(boc-amino)cyclohexylmethylaminetert-Butyl (cis-4-(aminomethyl)cyclohexyl)carbamateTERT-BUTYL CIS-4-AMINOMETHYLCYCLOHEXYLCARBAMATEtert-butyl (trans-4-aminomethylcyclohexyl)carbamate

이름 더 보기

tert-부틸(trans-4-아미노메틸시클로헥실)카르바메이트trans-4-(Boc-amino)cyclohexanemethylamine,97%trans-4-(Boc-aMino)cyclohexaneMethylaMine, 97%tert-Butyl(trans-4-aomethylcyclohexyl)carbamateTERT-BUTYL TRANS-4-AMINOMETHYLCYCLOHEXYLCARBAMATETERT-BUTYLTRANS-L-4-AMINOMETHYLCYCLOHEXYCARBAMATEtert-butyl (1r,4r)-4-(aminomethyl)cyclohexylcarbamateTERT-BUTYL TRANS-L-4-AMINOMETHYL CYCLOHEXYL CARBAMATE

trans-4-(boc-amino)cyclohexylmethylaminetert-butyl N-[(1r,4r)-4-(aminomethyl)cyclohexyl]carbamateMFCD01861810MFCD03844602trans-N-Boc-4-(Aminomethyl)cyclohexylaminetert-Butyl trans-L-4-aminomethylcyclohexylcarbamatetert-butyl trans-N-[4-(aminomethyl)cyclohexyl]carbamatetert-butyl (4-(aminomethyl)cyclohexyl)carbamate

데이터베이스 식별자

CAS: 1184918-37-3、177583-27-6
PubChem CID: 2756045
DTXSID: DTXSID60373207
EC Number: 866-627-4
Nikkaji: J1.679.003F

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: 342.4 · 342.4±11.0 °C(Predicted)
밀도: 1.01 · 1.01±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 12.52 · 12.52±0.40(Predicted)
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-
InChIKey: NVQFOBONHIXDOC-MGCOHNPYSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@@H]1CC[C@@H](CN)CC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야 · 2건

개요tert-Butyl (trans-4-(aminomethyl)cyclohexyl)carbamate is an organic compound characterized by its carbamate functional group, which is derived from the reaction of an amine with a carbonyl compound. This substance features a tert-butyl group, providing steric hindrance that can influence its reactivity and solubility.

용도trans-4-(Boc-amino)cyclohexanemethylamine is used as a raw material intermediates for pharmaceutical and chemical.