1-N-Boc-시스-1,4-사이클로헥실디아민

Cis tert-Butyl 4-aminocyclohexylcarbamate

HCID 2756050

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 177906-48-8
표준 SMILES: CC(C)(C)OC(=O)NC1CCC(N)CC1
InChIKey: FEYLUKDSKVSMSZ-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: Cis tert-Butyl 4-aminocyclohexylcarbamate
IUPAC: tert-butyl N-(4-aminocyclohexyl)carbamate
현지명: 1-N-Boc-시스-1,4-사이클로헥실디아민
영어명: 1-N-Boc-cis-1,4-cyclohexyldiamine
분자식: C11H22N2O2
분자량: 214.31

이름 및 동의어

247570-24-7N-Boc-1,4-cyclohexanediaminecis tert-Butyl 4-aminocyclohexylcarbamatetert-butyl N-[(1r,4r)-4-aminocyclohexyl]carbamatetert-butyl N-((1r,4r)-4-aminocyclohexyl)carbamateRefChem:577249606-334-9689-057-6803-541-8177906-48-8trans-N-Boc-1,4-cyclohexanediamine195314-59-1

이름 더 보기

1-N-Boc-시스-1,4-사이클로헥실디아민1-N-Boc-cis-1,4-cycL1-N-Boc-cis-1,4-CyclohexyldiamN-Boc-cis-1,4-cyclohexyldiaMineN1-BOC-CIS-1,4-CYCLOHEXYLDIAMINEcis-N-Boc-1,4-cyclohexanediaMineN-Boc-cis-1,4-cyclohexanediamineCis-N-Boc-cyclohexane-1,4-diamineCis-1N-Boc-cyclohexane-1,4-diaMinecis-4-(Boc-amino)cyclohexylamine,97%

1-N-BOC-CIS-1,4-CYCLOHEXYLDIAMINEN-Boc-trans-1,4-cyclohexanediaminetert-Butyl (4-aminocyclohexyl)carbamateTert-butyl N-(4-aminocyclohexyl)carbamatetert-Butyl (cis-4-aminocyclohexyl)carbamate1-Boc-1,4-cyclohexanediaminetert-Butyl 4-aminocyclohexylcarbamate1-Boc-amino-1,4-cyclohexanediamine

데이터베이스 식별자

CAS: 177906-48-8、195314-59-1、247570-24-7
PubChem CID: 2756050
DTXSID: DTXSID40939007
UNII: C52FUP2E96
EC Number: 606-334-9、689-057-6、803-541-8
Nikkaji: J2.914.073A

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: 215

물리화학적 성질

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
물리적 상태: 가루
산도 계수 (pKa): 12.44 · 12.44±0.40(Predicted)
색상: 회백색
수용성: 메탄올, 에틸 아세테이트에 용해되고 물에 약간 용해됩니다.
InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+
InChIKey: FEYLUKDSKVSMSZ-DTORHVGOSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@@H]1CC[C@H](N)CC1

안전 및 규제

GHS 분류

GHS Classification · 6건

H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

H411 (97.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and Categories · 3건

Aquatic Chronic 2 (97.6%)

Skin Irrit. 2 (100%)

Aquatic Chronic 2 (92.9%)

안전 데이터

wgk: WGK 3
HS 번호: 2921309990
hazard_code: Xi
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도cis-4-(Boc-amino)cyclohexylamine can be used in agrochemical, pharmaceutical and dyestuff field.

상·하류 제품 정보

상류 원료

Carbamic acid, N-[cis-4-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]-, phenylmethyl ester 디 -Tert- 부틸 디 카보네이트 tert-butyl (cis-4-azidocyclohexyl)carbamate Carbamic acid, N-[cis-4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)cyclohexyl]-, 1,1-dimethylethyl ester CIS-1,4-사이클로헥산디아민 벤질 알코올 수소 메틸알콜

공급사100 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海策嵘生物科技有限公司[email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]

화합물 노트

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