카르밤산,[(1S,2S)-2-아미노시클로펜틸]-,1,1-디메틸에틸에스테르(9CI)

(1S,2S)-trans-N-Boc-1,2-cyclopentanediamine

HCID 17040218

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 365996-21-0
표준 SMILES: CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1N
InChIKey: PAXDIBGWURAVIH-YUMQZZPRSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

이름 및 식별자

우선 이름: (1S,2S)-trans-N-Boc-1,2-cyclopentanediamine
IUPAC: tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
현지명: 카르밤산,[(1S,2S)-2-아미노시클로펜틸]-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, [(1S,2S)-2-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI)
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

(1S,2S)-trans-N-Boc-1,2-cyclopentanediaminerel-1,1-Dimethylethyl N-[(1R,2R)-2-aminocyclopentyl]carbamaterel-1,1-Dimethylethyl N-((1R,2R)-2-aminocyclopentyl)carbamateRefChem:394050624-073-9586961-34-4tert-Butyl ((1S,2S)-2-aminocyclopentyl)carbamatetert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamateMFCD11040590(1S,2S)-n-boc-1,2-cyclopentanediamineSCHEMBL463104DTXSID40589248

이름 더 보기

카르밤산,[(1S,2S)-2-아미노시클로펜틸]-,1,1-디메틸에틸에스테르(9CI)tert-Butyl ((1S,2S)tert-butyl (1S,2S)-2-aMinocyclopentylcarbaMateTrans-(1S,2S)-tert-butyl 2-aminocyclopentyl)carbamateN-[(1S,2S)-2-Aminocyclopentyl]carbamic acid tert-butyl esterCarbamic acid,N-[(1S,2S)-2-aminocyclopentyl]-, 1,1-dimethylethyl esterCarbamic acid, [(1S,2S)-2-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI)

AKOS015967465DS-17594tert-Butyl((1S,2S)-2-aminocyclopentyl)carbamatetert-Butyl [(1S,2S)-2-aminocyclopentyl]carbamate(1S,2S)-Boc-1,2-diaminocyclopentanePAXDIBGWURAVIH-YUMQZZPRSA-NCarbamic acid, [(1S,2S)-2-aminocyclopentyl]-, 1,1-dimethylethyl esterFB52620

데이터베이스 식별자

CAS: 365996-21-0、586961-34-4
PubChem CID: 17040218
DTXSID: DTXSID40589248
EC Number: 624-073-9
Nikkaji: J1.928.267H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

물리화학적 성질

끓는 점: 304 ℃ · 304℃
밀도: 1.04 · 1.04
인화점: 138 ℃ · 138℃
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 12.25 · 12.25±0.40(Predicted)
BRN: 9484552 · 9484552
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
InChIKey: PAXDIBGWURAVIH-YUMQZZPRSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H]1CCC[C@@H]1N

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.