1-CARBETHOXY-4-(메틸아미노)피페리딘

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester

HCID 11063140CAS 73733-69-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)N1CCC(NC)CC1
InChIKey: QKPLFXBOWHKIQH-UHFFFAOYSA-N
분자식: C9H18N2O2
평균 분자량: 186.25 g/mol
단동위원소 질량: 186.13682782

이름 및 식별자

우선 이름: 1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
IUPAC: ethyl 4-(methylamino)piperidine-1-carboxylate
현지명: 1-CARBETHOXY-4-(메틸아미노)피페리딘
영어명: 1-Carbethoxy-4-(methylamino)piperidine
분자식: C9H18N2O2
분자량: 186.25

이름 및 동의어

73733-69-41-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl esterRefChem:435831616-013-5Ethyl 4-(Methylamino)Piperidine-1-Carboxylate1-Ethoxycarbonyl-4-(methylamino)piperidineMFCD077811241-carbethoxy-4-(methylamino)piperidineSCHEMBL1487940SCHEMBL1487944DTXSID70453807QKPLFXBOWHKIQH-UHFFFAOYSA-N

이름 더 보기

1-CARBETHOXY-4-(메틸아미노)피페리딘LUBE-0081-Carbethoxy-N-methyl-4-piperidinamine1-ETHOXYCARBONYL-4-(METHYLAMINO)-PIPERIDINEETHYL 4-(METHYLAMINO)-1-PIPERIDINECARBOXYLATEEthyl 4-(N-methyl)aminopiperidine-1-carboxylate1-ETHOXYCARBONYL-4-(METHYLAMINO)-PIPERIDINE 98%4-(methylamino)-1-piperidinecarboxylic acid ethyl ester

AKOS000258664SB41234SDCCGSBI-0662984.P001NCGC00374040-01AS-31098ethyl 4-(methylamino)piperidinecarboxylateSY019745DB-019160

데이터베이스 식별자

CAS: 73733-69-4
PubChem CID: 11063140
DTXSID: DTXSID70453807
EC Number: 616-013-5
Nikkaji: J562.892J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 267.4 · 267.4±33.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.18 · 10.18±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.