1-N-BOC-1,2-CIS-시클로헥실디아민

(1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protected

HCID 1514389CAS 184954-75-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N
InChIKey: AKVIZYGPJIWKOS-BDAKNGLRSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: (1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protected
IUPAC: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate
현지명: 1-N-BOC-1,2-CIS-시클로헥실디아민
영어명: 1-N-BOC-1,2-CIS-CYCLOHEXYLDIAMINE
분자식: C11H22N2O2
분자량: 214.31

이름 및 동의어

184954-75-4cis-N1-(tert-Butoxycarbonyl)-1,2-cyclohexanediamine(1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protectedRefChem:393957690-960-2806-388-5365996-30-1tert-Butyl ((1S,2R)-2-aminocyclohexyl)carbamatetert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamateMFCD09952105tert-butyl (1S,2R)-2-aminocyclohexylcarbamateN-Boc-1(S),2(R)-diaminocyclohexane

이름 더 보기

1-N-BOC-1,2-CIS-시클로헥실디아민tert-Butyl (cis-2-aminocyclohexyl)carbamate1-N-BOC-1,2-CIS-CYCLOHEXN-Boc-cis-1,2-diaminocyclohexaneN-Boc-cis-1,2-cyclohexanediaMineCis-N-Boc-1,2-diaminocyclohexane1-N-Boc-cis-1,2-cyclohexyldiaminecis-N1-Boc-1,2-cyclohexanediamineCis 1N-Boc-cyclohexane-1,2-diaMinecis-2-Amino-1-(Boc-amino)cyclohexane

1-N-BOC-1,2-CIS-CYCLOHEXYLDIAMINE(1S,2R)-N1-Boc-1,2-cyclohexanediaminetert-butyl((1S,2R)-2-aminocyclohexyl)carbamateTert-butyl [(1S,2R)-2-aminocyclohexyl]carbamateCarbamic acid, [(1S,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester (9CI)(1S,2R)-N1-(tert-Butoxycarbonyl)-1,2-cyclohexanediaminecis-2-tert-butoxycarbonylaminocyclohexylamineB3483

데이터베이스 식별자

CAS: 184954-75-4、365996-30-1
PubChem CID: 1514389
DTXSID: DTXSID50363874
EC Number: 690-960-2、806-388-5
Nikkaji: J3.592.837E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 46 °C · 46 °C
끓는 점: 322.1 · 322.1±31.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 12.26 · 12.26±0.40(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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