메틸-브이-부틸로락톤

2-Pyridinamine, N-methyl-

HCID 20727CAS 4597-87-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNc1ccccn1
InChIKey: SVEUVITYHIHZQE-UHFFFAOYSA-N
분자식: C6H8N2
평균 분자량: 108.14 g/mol
단동위원소 질량: 108.06874826

이름 및 식별자

우선 이름: 2-Pyridinamine, N-methyl-
IUPAC: N-methylpyridin-2-amine
현지명: 메틸-브이-부틸로락톤
영어명: 2-(Methylamino)pyridine
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

2-(Methylamino)pyridine4597-87-92-Methylaminopyridine2-Pyridinamine, N-methyl-Methylamino-2 pyridineN-2-PyridylmethylamineEINECS 224-997-9NSC 122871PYRIDINE, 2-METHYLAMINO-DTXSID60196670N2PyridylmethylamineMethylamino2 pyridine

이름 더 보기

메틸-브이-부틸로락톤2-(메틸아미노)피리딘N-METHYLPYRIDIN-2-AMINEPiroxicam Impurity 9methylamino-2pyridine2-methylamino-pyridinn-methyl-2-pyridinaminMethyl(2-pyridyl)amineN-METHYL-2-PYRIDINAMINE

2(Methylamino)pyridinePyridine, 2methylamino2Pyridinamine, NmethylRefChem:4833452Pyridinamine, Nmethyl (9CI)DTXCID001191612-Pyridinamine, N-methyl-(9CI)224-997-9

데이터베이스 식별자

CAS: 4597-87-9
PubChem CID: 20727
DTXSID: DTXSID60196670
EC Number: 224-997-9
Nikkaji: J51.330J

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 24.9 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

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesBoiling point

LogP1.07

Vapor Pressure1.11 [mmHg]

Physical DescriptionLight yellow liquid; mp = 14-15 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 15 °C · 15 °C(lit.)
끓는 점: 200 · 200-201 °C(lit.)
밀도: 1.052 g/mL · 1.052 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.578(lit.)
인화점: 190 °F · 190 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 6.73 · 6.73±0.10(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
BRN: 108188 · 108188
InChI: InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
InChIKey: SVEUVITYHIHZQE-UHFFFAOYSA-N
SMILES: C1(NC)=NC=CC=C1
NIST: 2 · 2-Pyridinamine, N-methyl-(4597-87-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.6%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses excitement in intravenous lethal-dose studies of mice (LD50 = 270 mg/kg); [RTECS] A skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See 2-Aminopyridine.

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

안전 데이터

wgk: 3
rtecs: UT5500000
ridadr: UN2810
HS 번호: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

일반 설명Photoreaction of 2-(methylamino)pyridine in low-temperature argon matrix has been investigated by infrared spectroscopy and density functional theory calculation. 2-(Methylamino)pyridine forms copper(II) complexes containing various anions (Cl-, Br-, NO3-, SCN-, ClO4-, or SO42-).