CAS 1502-03-0 Cyclododecanamine (HCID 2897)

名称と識別子

優先名称: Cyclododecanamine
IUPAC: cyclododecanamine
現地名: シクロドデシルアミン
英語名: Cyclododecylamine
分子式: C12H25N
分子量: 183.33

名称と別名

CyclododecylamineCyclododecanamine363RMR1WEREINECS 216-118-2UNII-363RMR1WERNSC 524958NSC-524958DTXSID1061736RefChem:129445DTXCID4034867HBGGBCVEFUPUNY-UHFFFAOYSA-N1502-03-0

名称をさらに表示

シクロドデシルアミンアミノシクロドデカン1-シクロドデカンアミンシクロドデカンアミン1-CyclododecanamineTIMTEC-BB SBB003726Cyclododecylamine >Cyclododecylamine,98%

MFCD00003718AminocyclododecaneNSC524958Cyclododecylamine, 97%SCHEMBL266160SCHEMBL2962379SCHEMBL3030542CHEMBL3752009

データベース識別子

CAS: 1502-03-0
PubChem CID: 2897
DTXSID: DTXSID1061736
ChEMBL: CHEMBL3752009
UNII: 363RMR1WER
EC Number: 216-118-2
Nikkaji: J148.686A

物性

構造計算による物性

XLogP: 3.5
極性表面積: 26 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: 0
重原子数: 13
形式電荷: 0
複雑度: 99

物理化学的性質

融点: 27 · 27-29 °C(lit.)
沸点: 122 · 122-124 °C7 mm Hg(lit.)
比重(密度): 0.9093 · 0.9093 (rough estimate)
屈折率: 1.487 · 1.487-1.489
闪点: 250 °F · 250 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.98 · 10.98±0.20(Predicted)
CAS データベース: 1502 · 1502-03-0(CAS DataBase Reference)
EPAの化学物質情報: Cyclododecanamine (1502-03-0)

化学的性質

化学的特性CLEAR SLIGHTLY YELLOW LIQUID AFTER MELTING

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312 (71.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (71.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (71.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (71.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (28.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (71.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (28.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (27.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 5 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (71.7%)；Acute Tox. 4 (71.7%)；Skin Corr. 1A (71.7%)；Skin Irrit. 2 (28.3%)；Eye Dam. 1 (71.7%)；Eye Irrit. 2 (28.3%)；STOT SE 3 (27.6%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3259 8/PG 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

用途と製造

General Manufacturing InformationCyclododecanamine: ACTIVE

調製方法 · 2 件

Cyclododecylamine is produced by reduction of cyclododecanone oxime with sodium and an alcohol, by catalytic reduction of nitrocyclododecane with hydrogen, by Ritter reaction of cyclododecene with hydrocyanic acid, or by hydrogenation of cyclododecanone under amination conditions. The reaction of cyclododecylamine with propylene oxide leads to a product that can undergo cyclization to give the fungicide Dodemorph (BASF). The compound behaves chemically as a primary amine.

純化方法It can be purified via the hydrochloride salt m 274-275o (from EtOH) or the picrate m 232-234o, and the free base is distilled preferably at water-pump vacuum [Prelog et al. Helv Chim Acta 33 365 1950].