CAS 45715-08-0 (5-Methylpyridin-2-yl)methanamine (HCID 11423586)

基本情報

CAS: 45715-08-0
標準SMILES: Cc1ccc(CN)nc1
InChIKey: NXTVBKWLOZSCQE-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439832

名称と識別子

優先名称: (5-Methylpyridin-2-yl)methanamine
IUPAC: (5-methyl-2-pyridinyl)methanamine
現地名: (5-メチルピリジン-2-イル)メタンアミン
英語名: (5-Methylpyridin-2-yl)methanamine
分子式: C7H10N2
分子量: 122.17

名称と別名

(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

名称をさらに表示

(5-メチルピリジン-2-イル)メタンアミン(5-メチルピリジン-2-イル)メタンアミン HYDROCHLORIDE(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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.1
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 83

物理化学的性質

沸点: 215.4 · 215.4±25.0 °C(Predicted)
比重(密度): 1.027 · 1.027±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 8.76 · 8.76±0.39(Predicted)
外見: liquid
色: Pale-yellow
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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (75%)

安全データ

wgk: WGK 3
hs_code: 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
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects