CAS 18977-45-2 (Cyclopropylmethyl)methylamine (HCID 12919209)

基本情報

CAS: 18977-45-2
標準SMILES: CNCC1CC1
InChIKey: BFPMCZWKUSUMKE-UHFFFAOYSA-N
分子式: C5H11N
平均分子量: 85.15 g/mol
単同位体質量: 85.08914935

名称と識別子

優先名称: (Cyclopropylmethyl)methylamine
IUPAC: 1-cyclopropyl-N-methylmethanamine
現地名: (シクロプロピルメチル)メチルアミン
英語名: (cyclopropylmethyl)methylamine(SALTDATA: FREE)
分子式: C5H11N
分子量: 85.15

名称と別名

(Cyclopropylmethyl)methylamineRefChem:406093817-023-418977-45-21-Cyclopropyl-n-methylmethanamine(cyclopropylmethyl)(methyl)amineCyclopropylmethyl-methyl-amineCyclopropanemethanamine, N-methyl-N-(Cyclopropylmethyl)-N-methylamineMFCD11150443cyclopropyl-N-methylmethanaminecyclopropylmethyl(methyl)amine

名称をさらに表示

(シクロプロピルメチル)メチルアミン1-cyclopropyl-N-methylamineN-Methyl-cyclopropanemethanamine(cyclopropylmethyl)methylamine(SALTDATA: FREE)

methyl(cyclopropylmethyl)amineN-MethylcyclopropanemethylamineEN300-50950FT-0684025Cyclopropylmethyl-methylamineHESPERIDIN METHYL CHAA918987SCHEMBL273580

データベース識別子

CAS: 18977-45-2
PubChem CID: 12919209
DTXSID: DTXSID50512946
EC Number: 817-023-4

物性

構造計算による物性

XLogP: 0.5
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 39.2

物理化学的性質

沸点: 94 · 94-96 °C
比重(密度): 0.854 · 0.854±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 10.98 · 10.98±0.10(Predicted)
InChI: 1S/C5H11N/c1-6-4-5-2-3-5/h5-6H,2-4H2,1H3
InChIKey: BFPMCZWKUSUMKE-UHFFFAOYSA-N
SMILES: CNCC1CC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.