(5-Methylpyridin-2-yl)methanamine

HCID 11423586

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 45715-08-0
표준 SMILES: Cc1ccc(CN)nc1
InChIKey: NXTVBKWLOZSCQE-UHFFFAOYSA-N
분자식: C7H10N2
평균 분자량: 122.17 g/mol
단동위원소 질량: 122.08439832

이름 및 식별자

우선 이름: (5-Methylpyridin-2-yl)methanamine
IUPAC: (5-methyl-2-pyridinyl)methanamine
영어명: (5-Methylpyridin-2-yl)methanamine
분자식: C7H10N2
분자량: 122.17

이름 및 동의어

(5-methylpyridin-2-yl)methanamine45715-08-0DTXSID90465326RefChem:209514DTXCID80416145815-530-5MFCD08752541(5-Methyl-2-pyridyl)methanamine(5-Methylpyridin-2-yl)methylamine2-(aminomethyl)-5-methylpyridine1-(5-METHYLPYRIDIN-2-YL)METHANAMINE5-METHYL-2-PYRIDINEMETHANAMINE

이름 더 보기

(5-METHYLPYRIDIN-2-YL)METHANAMINE ISO 9001：2015 REACH

2-Pyridinemethanamine, 5-methyl-2-Pyridinemethanamine,5-methyl-SCHEMBL1631007SCHEMBL1631010CHEMBL4514296SCHEMBL29452043(5-methyl-2-pyridyl)methylamineNXTVBKWLOZSCQE-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 45715-08-0
PubChem CID: 11423586
DTXSID: DTXSID90465326
ChEMBL: CHEMBL4514296
EC Number: 815-530-5

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 83

물리화학적 성질

끓는 점: 215.4 · 215.4±25.0 °C(Predicted)
밀도: 1.027 · 1.027±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.76 · 8.76±0.39(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
InChI: 1S/C7H10N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4,8H2,1H3
InChIKey: NXTVBKWLOZSCQE-UHFFFAOYSA-N
SMILES: Cc1ccc(CN)nc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (75%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 25-37/38-41
hazard_code: T
safety_code: 26-39-45
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects