CAS 34985-37-0 2-Methylbutylamine, (S)- (HCID 2724272)

基本情報

CAS: 34985-37-0
標準SMILES: CC[C@H](C)CN
InChIKey: VJROPLWGFCORRM-YFKPBYRVSA-N
分子式: C5H13N
平均分子量: 87.16 g/mol
単同位体質量: 87.10479942

名称と識別子

優先名称: 2-Methylbutylamine, (S)-
IUPAC: (2S)-2-methylbutan-1-amine
現地名: [S,(-)]-2-メチルブチルアミン
英語名: (S)-(-)-2-Methylbutylamine
分子式: C5H13N
分子量: 87.16

名称と別名

34985-37-0(S)-(-)-2-Methylbutylamine(S)-2-Methylbutylamine1-Butanamine, 2-methyl-, (2S)-(S)-(-)-2-Methyl-1-butylamine(S)-2-Methylbutylamine, (-)-D8Q8RZF45X(S)-1-Amino-2-methylbutaneEINECS 252-307-6(2S)-2-METHYLBUTYLAMINEDTXSID3013118452-METHYLBUTYLAMINE, (S)-

名称をさらに表示

(S)-2-メチル-1-ブタンアミン[(2S)-2-メチルブチル]アミン(S)-2-メチルブタン-1-アミン[S,(-)]-2-メチルブチルアミン(2S)-2-メチルブタン-1-アミン(2S)-2-メチル-1-ブタンアミン(S)-2-メチルブチルアミン(S)-(−)-2-メチルブチルアミンRARECHEM AL BW 2191(S)-2-Methylbutylamin[(2S)-2-Methylbutyl]amine(2S)-2-Methyl-1-butanamineS(-)-2-METHYL-1-BUTYLAMINE(2S)-2-Methylbutane-1-amine

(S)-2-METHYL-1-BUTANAMINE(S)-2-METHYL-1-BUTYLAMINES)-(-)-2-METHYLBUTYLAMINE1-BUTANAMINE, 2-METHYL-, (S)-RefChem:476008DTXCID501741664252-307-6(2S)-2-methylbutan-1-amine

データベース識別子

CAS: 34985-37-0
PubChem CID: 2724272
DTXSID: DTXSID301311845
ChEBI: CHEBI:231981
UNII: D8Q8RZF45X
EC Number: 252-307-6
Nikkaji: J63.092F

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: 2
重原子数: 6
形式電荷: 0
複雑度: 27

物理化学的性質

沸点: 40 · 40-45 °C12 mm Hg(lit.)
比重(密度): 0.756 g/mL · 0.756 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.4126(lit.)
闪点: 38 °F · 38 °F
貯蔵温度: Flammables area
酸解離定数(Pka): 10.75 · 10.75±0.10(Predicted)
外見: liquid
水溶解度: 水に完全に混和します。
BRN: 1718807 · 1718807
InChI: 1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKey: VJROPLWGFCORRM-YFKPBYRVSA-N
SMILES: CC[C@H](C)CN

化学的性質

化学的特性CLEAR COLOURLESS TO LIGHT BROWN LIQUID

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 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (91.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, 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, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 (91.1%)；Acute Tox. 4 (91.1%)；Skin Corr. 1B (100%)；Acute Tox. 4 (91.1%)

安全データ

F: 10-34
wgk: 3
ridadr: UN 2733 3/PG 2
risk_code: 11-20/21/22-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B