CAS 22526-46-1 1,2-Dimethylpropylamine, (S)- (HCID 6999788)

名称と識別子

優先名称: 1,2-Dimethylpropylamine, (S)-
IUPAC: (2S)-3-methylbutan-2-amine
英語名: (S)-(+)-2-Amino-3-methylbutane
分子式: C5H13N
分子量: 87.16

名称と別名

22526-46-1(S)-(+)-2-Amino-3-methylbutane(S)-(+)-3-Methyl-2-butylamine(S)-3-methyl-2-butylamine(S)-3-Methylbutane-2-amine2-Butanamine, 3-methyl-, (2S)-32QJA2ZJ2A(s)-2-amino-3-methylbutane1,2-Dimethylpropylamine, (S)-3-Methyl-2-butylamine, (2S)-Propylamine, 1,2-dimethyl-, (S)-J60.644H

名称をさらに表示

(S)-3-Methylbutan-2-aMine(2S)-3-METHYLBUT-2-YLAMINE(S)-(+)-3-Methyl-2-butylamine, ChiPros(S)-(+)-3-METHYL-2-BUTYLAMINE, CHIPROS 98+%, EE 99%

DTXSID80426446RefChem:411796DTXCID60377280627-253-5(2S)-3-methylbutan-2-amineUNII-32QJA2ZJ2AMFCD01075732(S)-1,2-dimethylpropylamine

データベース識別子

CAS: 22526-46-1
PubChem CID: 6999788
DTXSID: DTXSID80426446
UNII: 32QJA2ZJ2A
EC Number: 627-253-5
Nikkaji: J60.644H

物性

構造計算による物性

XLogP: 1
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: 1
重原子数: 6
形式電荷: 0
複雑度: 32

物理化学的性質

比旋光度: 5.3 · 5.3 º (NEAT)
沸点: 85 · 85-87°C
比重(密度): 0.746 g/mL · 0.746 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.405
闪点: 21 °C · <21°C
外見: liquid
酸解離定数(Pka): 10.8 · 10.80±0.10(Predicted)
BRN: 1718797 · 1718797
InChI: 1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1
InChIKey: JOZZAIIGWFLONA-YFKPBYRVSA-N
SMILES: CC(C)[C@H](C)N

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (90.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 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 CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (90.7%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (90.7%)

安全データ

F: 10-34
wgk: 3
rtecs: UI1100000
ridadr: UN 2733 3/PG 2
risk_code: 11-20/21/22-35-51/53-34
hazard_code: F,C,N
safety_code: 26-36/37/39-45-61
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids