Veratrylamine (HCID 79832)

名称と識別子

優先名称: Veratrylamine
IUPAC: (3,4-dimethoxyphenyl)methanamine
現地名: ベラトリルアミン
英語名: Veratrylamine
分子式: C9H13NO2
分子量: 167.21

名称と別名

3,4-Dimethoxybenzylamine5763-61-1VeratrylamineBenzenemethanamine, 3,4-dimethoxy-NSC-271740KQA442BL6WDTXSID50206292RefChem:4863083,4-DBADTXCID50128783227-287-7(3,4-Dimethoxyphenyl)methanamine

名称をさらに表示

ベラトリルアミン3,4-ジメトキシベンゼンメタンアミン3,4-ジメトキシベンジルアミン3，4ジメトキシベンジルアミン3,4‐ジメトキシベンジルアミン1-(3,4-ジメトキシフェニル)メタンアミンVTATOBO-005AKOS 237-129AKOS BBS-00006456RARECHEM AL BW 01613,4-Dimethoxybenzyla3,4-DiMethyloxybenzylaMine

1-(3,4-dimethoxyphenyl)methanamineBenzylamine, 3,4-dimethoxy-3,4-dimethoxybenzenemethanamineMFCD000081163,4-dimethoxy-benzylamine(3,4-dimethoxyphenyl)methylamineDrotaverine Impurity 14EINECS 227-287-7

データベース識別子

CAS: 5763-61-1
PubChem CID: 79832
DTXSID: DTXSID50206292
UNII: KQA442BL6W
EC Number: 227-287-7
Nikkaji: J1.839B

物性

構造計算による物性

XLogP: 0.4
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 262 · 262-263 °C(Solv: N,N-dimethylformamide (68-12-2))
沸点: 281 · 281-284 °C (lit.)
比重(密度): 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.556(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 9.28 · 9.28±0.10(Predicted)
外見: 液体
比重: 1.109 · 1.109
色: クリアライトイエロー
BRN: 511575 · 511575
InChI: 1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey: DIVNUTGTTIRPQA-UHFFFAOYSA-N
SMILES: COc1ccc(CN)cc1OC
CAS データベース: 5763 · 5763-61-1(CAS DataBase Reference)
NISTの化学物質情報: Veratrylamine(5763-61-1)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.