4-아미노-1-벤질피페리딘

1-Benzyl-4-piperidylamine

HCID 415852CAS 50541-93-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CCN(Cc2ccccc2)CC1
InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 1-Benzyl-4-piperidylamine
IUPAC: 1-benzylpiperidin-4-amine
현지명: 4-아미노-1-벤질피페리딘
영어명: 4-Amino-1-benzylpiperidine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

4-Amino-1-benzylpiperidine50541-93-01-Benzyl-4-aminopiperidine1-(Phenylmethyl)-4-piperidinamine1-Benzyl-4-piperidylamine1-Benzyl-4-piperidinaminen-benzyl-4-aminopiperidine4-Amino-N-benzylpiperidine6QX28DE2951-benzyl-4-piperidinylamineEINECS 256-620-9NSC 730607

이름 더 보기

4-아미노-1-벤질피페리딘4-아미노-1-벤질피페리딘(4-AMINO-1-BENZYLPIPERIDINE)1-BENZYL-PIPERIDIN-4-YLAMINE4-(PIPERIDIN-1-YLMETHYL)ANILINE4-PiperiAKOS B014375AKOS MSC-0180ASISCHEM W546451-benzyl-4-aMinoAKOS BOR-MOSH-08

DTXSID601985782-AMINO-1-BENZYLPIPERIDINERefChem:429948DTXCID20121069256-620-9N-BENZYL-4-PIPERIDINAMINE1-benzylpiperidin-4-amine4-Piperidinamine, 1-(phenylmethyl)-

데이터베이스 식별자

CAS: 50541-93-0
PubChem CID: 415852
DTXSID: DTXSID60198578
ChEMBL: CHEMBL366500
UNII: 6QX28DE295
EC Number: 256-620-9
Nikkaji: J207.965H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 121 · 121-122 °C(Solv: water (7732-18-5); ethanol (64-17-5))
끓는 점: 152 °C · 152 °C (9.7 mmHg)
밀도: 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 10 g/L · 10g/L
물리적 상태: 액체
산도 계수 (pKa): 10.15 · 10.15±0.20(Predicted)
색상: 무색투명~연황색
수소이온지수(pH): 11.4 · 11.4 (10g/l, H2O)
수용성: 섞일 수 없음
BRN: 146038 · 146038
InChI: 1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N
SMILES: NC1CCN(CC1)Cc2ccccc2

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (92.3%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-Amino-N-benzylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (92.3%)

안전 데이터

wgk: 3
ridadr: UN2735
HS 번호: 29333999
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
기존화학 물질: KE-02822
F 고인화성물질: 8-10-34
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도4-Amino-1-benzylpiperidine was used in the preparation of:butyl 4-amino-1-piperidineacetate, key intermediate required for the synthesis of butyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidineacetate5-alkylimino-1,2,4-thiadiazolidine-3-ones, such as 4-ethyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-methyl-1,2,4-thiadiazolidin-3-one and 4-benzyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-isopropyl-1,2,4-thiadiazolidin-3-oneglycyrrhetinic acid derivatives

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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