4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid

HCID 19259CAS 3627-45-0

基本情報

標準SMILES: O=C(O)C1(c2ccccc2)CCNCC1
InChIKey: DZZGGKPKWGPNJA-UHFFFAOYSA-N
分子式: C12H15NO2
平均分子量: 205.25 g/mol
単同位体質量: 205.11027872

名称と識別子

優先名称: 4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid
IUPAC: 4-phenylpiperidine-4-carboxylic acid

名称と別名

EINECS 281-391-7EC 281-391-74-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acidRefChem:526446281-391-783949-32-03627-45-04-Phenylpiperidine-4-carboxylic acid4-Phenyl-4-piperidine carboxylic acid4-Phenyl-4-piperidinecarboxylic acid4-Piperidinecarboxylic acid, 4-phenyl-4-phenyl-piperidine-4-carboxylic acid

名称をさらに表示

MFCD00242586Norpethidinic acidNormeperidinic acidN-Demthylmeperidinic acidISONIPECOTIC ACID, 4-PHENYL-EINECS 222-844-0BRN 01711764-Piperidinecarboxylicacid, 4-phenyl-

データベース識別子

CAS: 3627-45-0、83949-32-0
PubChem CID: 19259
DTXSID: DTXSID90868772
EC Number: 222-844-0、281-391-7
Nikkaji: J86.366A

物性

構造計算による物性

XLogP: -1
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 228

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]