4-(2-아미노에틸)-1-벤질피페리딘

2-(1-Benzylpiperidin-4-yl)ethan-1-amine

HCID 1867002CAS 86945-25-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCC1CCN(Cc2ccccc2)CC1
InChIKey: OUYRPOHWEJUTCQ-UHFFFAOYSA-N
분자식: C14H22N2
평균 분자량: 218.34 g/mol
단동위원소 질량: 218.1782987

이름 및 식별자

우선 이름: 2-(1-Benzylpiperidin-4-yl)ethan-1-amine
IUPAC: 2-(1-benzylpiperidin-4-yl)ethanamine
현지명: 4-(2-아미노에틸)-1-벤질피페리딘
영어명: 4-(2-Aminoethyl)-1-benzylpiperidine
분자식: C14H22N2
분자량: 218.34

이름 및 동의어

2-(1-benzylpiperidin-4-yl)ethan-1-amineRefChem:450866677-068-986945-25-72-(1-benzylpiperidin-4-yl)ethanamine4-(2-Aminoethyl)-1-benzylpiperidine2-(1-Benzyl-4-piperidyl)ethylamine2-(1-benzyl-4-piperidyl)ethanamine4-Piperidineethanamine, 1-(phenylmethyl)-MFCD020934232-(1-benzyl-4-piperidinyl)ethanamine2-(1-benzylpiperidin-4-yl)ethylamine

이름 더 보기

4-(2-아미노에틸)-1-벤질피페리딘AKOS BBS-00006795RARECHEM AN KA 2335Aminoethylbenzylpiperidine2-(N-Benzyl 4-piperidyl)ethylaMine

2-(1-Benzyl-piperidin-4-yl)-ethylamine2-(1-Benzyl-4-piperidinyl)ethanamine, AldrichCPR2-[1-benzyl-4-piperidyl]ethylamine1-benzyl-4-(2-aminoethyl)piperidine2-(1-benzylCHEMBL81207SCHEMBL544141orb3175433

데이터베이스 식별자

CAS: 86945-25-7
PubChem CID: 1867002
DTXSID: DTXSID10365415
ChEMBL: CHEMBL81207
EC Number: 677-068-9
Nikkaji: J1.157.436J

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 175 · 175-178 °C
끓는 점: 175 · 175-184 °C(Press: 0.1 Torr)
밀도: 0 · 0,99 g/cm3
굴절률: 1.532 · 1.5320-1.5350
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.43 · 10.43±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: InChI=1S/C14H22N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-12,15H2
InChIKey: OUYRPOHWEJUTCQ-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(CCN)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

안전 데이터

wgk: WGK 3
HS 번호: 2933.39.9200
risk_code: 36/37/38-41-25
hazard_code: T,Xi
safety_code: 26-36/37/39-45-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects