(S)-2-아미노메틸-1-N-BOC-피페리딘

tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate

HCID 1502020CAS 475105-35-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1CN
InChIKey: PTVRCUVHYMGECC-VIFPVBQESA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
IUPAC: tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
현지명: (S)-2-아미노메틸-1-N-BOC-피페리딘
영어명: (S)-2-Aminomethyl-1-N-Boc-piperidine
분자식: C11H22N2O2
분자량: 214.3

이름 및 동의어

475105-35-2tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylateDTXSID20363583RefChem:382968DTXCID60314630676-058-1(s)-2-(aminomethyl)-1-n-boc-piperidine(S)-2-Aminomethyl-1-N-Boc-piperidineMFCD06799358(S)-2-(Aminomethyl)-1-Boc-piperidine(s)-tert-butyl 2-(aminomethyl)piperidine-1-carboxylate(s)-2-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester

이름 더 보기

(S)-2-아미노메틸-1-N-BOC-피페리딘(S)-1-Boc-2-(aMinoMethyl)piperidine(S)-1-N-Boc-2-(aminomethyl)piperidineS-2-(AMINOMETHYL)-1-N-BOC-PIPERIDINE-HCl1H-1,4-Diazepine,hexahydro-2-(phenylmethyl)-REF DUPL: (S)-2-Aminomethyl-1-N-Boc-piperidine(2S)-2-(Aminomethyl)piperidine,N1-BOCprotected(S)-2-(Aminomethyl)-1-N-Boc-piperidine - [A91684]

(S)-tert-Butyl 2-(aminomethyl)-piperidine-1-carboxylateSCHEMBL344947tert-butyl (S)-2-(aminomethyl)piperidine-1-carboxylatePTVRCUVHYMGECC-VIFPVBQESA-NAUA10535CS-D1798(S)-2-aminomethyl-N-Boc-piperidineAKOS005258697

데이터베이스 식별자

CAS: 475105-35-2
PubChem CID: 1502020
DTXSID: DTXSID20363583
EC Number: 676-058-1

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

끓는 점: 299.4 · 299.4±13.0 °C(Predicted)
밀도: 1.023 · 1.023
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 10.32 · 10.32±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.