CAS 146093-46-1 tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate (HCID 1514258)

기본 정보

CAS: 146093-46-1
표준 SMILES: CC(C)(C)OC(=O)N1CCC(CCN)CC1
InChIKey: LBQDLHPFISVBRU-UHFFFAOYSA-N
분자식: C12H24N2O2
평균 분자량: 228.33 g/mol
단동위원소 질량: 228.18377801

이름 및 식별자

우선 이름: tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate
현지명: 4-(2-아미노에틸)-1-Boc-피페리딘
영어명: 4-(2-Aminoethyl)-1-Boc-piperidine
분자식: C12H24N2O2
분자량: 228.33

이름 및 동의어

146093-46-1tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylateDTXSID30363817RefChem:383462DTXCID30314864675-905-24-(2-Aminoethyl)-1-Boc-piperidine4-(Aminoethyl)-1-N-Boc-piperidineMFCD040384591-piperidinecarboxylic acid, 4-(2-aminoethyl)-, 1,1-dimethylethyl ester4-(2-amino-ethyl)-piperidine-1-carboxylic acid tert-butyl ester2-[1-(tert-butoxycarbonyl)piperidin-4-yl]ethylamine

이름 더 보기

4-(2-아미노에틸)-1-Boc-피페리딘1-N-Boc-4-(Aminoethyl)-piperidine2-(N-Boc-4-piperidinyl)ethanamine4-(2-Aminoethyl)-1-N-Boc-piperidine4-(Aminoethyl)-1-N-Boc-piperidine Hcl4-(2-Aminoethyl)piperidine, N1-BOC protected

4-(2-aminoethyl)-1-(tert-butoxycarbonyl)piperidine2-(1-tert-butoxycarbonylpiperidin-4-yl)ethylamine2-[1-tert-butoxycarbonylpiperidin-4-yl]ethylamineBoc-4-aminoethylpiperidineSCHEMBL255518orb31756524-(aminoethyl)-1-boc-piperidineLBQDLHPFISVBRU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 146093-46-1
PubChem CID: 1514258
DTXSID: DTXSID30363817
EC Number: 675-905-2

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 316 · 316.0±15.0 °C(Predicted)
밀도: 1.01 · 1.010±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: semisolid
산도 계수 (pKa): 10.43 · 10.43±0.10(Predicted)
색상: off-white to light yellow
InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9,13H2,1-3H3
InChIKey: LBQDLHPFISVBRU-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CCN)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.