CAS 503126-34-9 N-methyl-1-(propan-2-yl)piperidin-4-amine (HCID 3159676)

기본 정보

CAS: 503126-34-9
표준 SMILES: CNC1CCN(C(C)C)CC1
InChIKey: IKTZTXACQRUKHD-UHFFFAOYSA-N
분자식: C9H20N2
평균 분자량: 156.27 g/mol
단동위원소 질량: 156.16264865

이름 및 식별자

우선 이름: N-methyl-1-(propan-2-yl)piperidin-4-amine
IUPAC: N-methyl-1-propan-2-ylpiperidin-4-amine
현지명: 4-피페리딘아민,N-메틸-1-(1-메틸에틸)-(9CI)
영어명: 4-Piperidinamine,N-methyl-1-(1-methylethyl)-(9CI)
분자식: C9H20N2
분자량: 156.27

이름 및 동의어

503126-34-9N-methyl-1-(propan-2-yl)piperidin-4-amineRefChem:830307982-813-9(1-Isopropyl-piperidin-4-yl)-methyl-amine1-Isopropyl-N-methylpiperidin-4-amineMFCD07186431N-methyl-1-propan-2-ylpiperidin-4-amineN-Methyl-1-(1-methylethyl)-4-piperidinamine4-Piperidinamine, N-methyl-1-(1-methylethyl)-methyl[1-(methylethyl)(4-piperidyl)]amine1-Isopropyl-4-methylaminopiperidine

이름 더 보기

4-피페리딘아민,N-메틸-1-(1-메틸에틸)-(9CI)(1-isopropyl-4-piperidyl)-methyl-amineN-methyl-1-propan-2-yl-piperidin-4-amine4-Piperidinamine,N-methyl-1-(1-methylethyl)-(9CI)

SCHEMBL221799SCHEMBL4715298IKTZTXACQRUKHD-UHFFFAOYSA-NALBB-0263941 -Isopropyl-4-methylaminopiperidineSBB085413AKOS0001274441-isopropyl-N-methyl-piperidin-4-amine

데이터베이스 식별자

CAS: 503126-34-9
PubChem CID: 3159676
EC Number: 982-813-9

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 104

물리화학적 성질

끓는 점: 204.635 · 204.635±8.00 °C(Press: 760.00 Torr)(predicted)
밀도: 0.896 · 0.896±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 10.31 · 10.310±0.20(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.