1-Boc-3-메톡시-피페리딘-4-일아민

tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate

HCID 53396191CAS 1260639-98-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1CN(C(=O)OC(C)(C)C)CCC1N
InChIKey: QNGHCFVWYKWWMU-UHFFFAOYSA-N
분자식: C11H22N2O3
평균 분자량: 230.3 g/mol

개요

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이름 및 식별자

우선 이름: tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
IUPAC: tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate
현지명: 1-Boc-3-메톡시-피페리딘-4-일아민
영어명: 1-Boc-3-methoxy-piperidin-4-ylamine
분자식: C11H22N2O3
분자량: 230.3

이름 및 동의어

1260639-98-2tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate1-Boc-3-methoxy-piperidin-4-ylamineMFCD15474948tert-Butyl 4-amino-3-methoxy-piperidine-1-carboxylateCis-4-Amino-1-Boc-3-methoxypiperidinePB15926PB16997AS-51052P11796tert-Butyl (3R,4R)-4-amino-3-methoxy-piperidine-1-carboxylateSY099937

이름 더 보기

1-Boc-3-메톡시-피페리딘-4-일아민1-Boc-3-methoxy-piperidin-4-ylamine - [M13597]1-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester

(3S,4R)-1-Boc-3-methoxypiperidin-4-aminetert-Butyl (3S,4R)-4-amino-3-methoxy-piperidine-1-carboxylateSCHEMBL2845785QNGHCFVWYKWWMU-UHFFFAOYSA-N1-Boc-3-methoxypiperidin-4-amineAKOS022686905PB16829PB22234

데이터베이스 식별자

CAS: 1260639-98-2
PubChem CID: 53396191
EC Number: 173-860-9

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 64.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 250

물리화학적 성질

끓는 점: 306.2 · 306.2±42.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
산도 계수 (pKa): 9.42 · 9.42±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.