3-Pyridinemethanamine (HCID 31018)

개요

Picolamine is a small molecule drug. Picolamine has a monoisotopic molecular weight of 108.07 Da.

이름 및 식별자

우선 이름: 3-Pyridinemethanamine
IUPAC: pyridin-3-ylmethanamine
현지명: 피콜리아민
영어명: 3-(Aminomethyl)pyridine
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

3-(Aminomethyl)pyridine3731-52-0Picolamine3-PyridinemethanaminePicolaminaPyridine, 3-(aminomethyl)-PicolaminumDTXSID2044424NSC-5970631LA41942JDTXCID00244243-picolamine

이름 더 보기

피콜리아민3-(아미노메틸)피리딘3AMPYNSC 59706Picolamin-Aminomethylm-PicolylamineAKOS BBS-000036793-Picolylamine>

RefChem:174159223-091-0pyridin-3-ylmethanamine3-Picolylamine3-Aminomethylpyridine3-Pyridylmethylamine1-(Pyridin-3-yl)methanamine3-pyridylmethanamine

데이터베이스 식별자

CAS: 3731-52-0
PubChem CID: 31018
DTXSID: DTXSID2044424
ChEMBL: CHEMBL1988272
UNII: 31LA41942J
EC Number: 223-091-0
Nikkaji: J8.222H

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 63.5

실험 및 물리화학적 성질

LogP-0.1

Collision Cross Section119.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044424]

물리화학적 성질

녹는점: 21 °C · −21 °C(lit.)
끓는 점: 73 · 73-74 °C1 mm Hg(lit.)
밀도: 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.551(lit.)
인화점: 213 °F · 213 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: soluble in Chloroform, Ethyl Acetate, Methanol
산도 계수 (pKa): 8.34 · 8.34±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
수소이온지수(pH): 11 · 11-12 (100g/l, H2O, 20℃)
수용성: 자유롭게 용해되는
BRN: 108056 · 108056
Henry's Law Constant: 4.3 · 4.3×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N
SMILES: NCc1cccnc1
NIST: Picolamine(3731-52-0)
EPA: 3 · 3-Pyridinemethanamine (3731-52-0)

화학적 성질

CLEAR COLOURLESS TO SLIGHLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (16%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 10-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32311

3-(Aminomethyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (16%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Picolamine

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
HS 번호: 29333999
risk_code: 34-37-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-25-36
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pyridinemethanamine: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

피리미닐 3-Pyridinemethanamine 1-oxide 3-(아미노메틸)-1-메틸피페리딘 3-N-Boc-아미노메틸피페리딘 1,3-DIOXO-2-PYRIDIN-3-YLMETHYL-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID 2-시아노-N-(3-피리디닐메틸)아세트아미드 (4-브로모-벤질)-피리딘-3-일메틸-아민 4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide Methyl 3-[(3-pyridinylmethyl)amino]propanoate 2-Bromo-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide 4-(프로프-2-이닐라미노)-N-(피리딘-3-일메틸)벤자미드

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

연결된 노트

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피콜리아민

기본 정보

개요