HCID21405

2-Hexanamine

hexan-2-amine

C6H15N101.19 g/molCAS 5329-79-3

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IDENTITY

结构与身份

标准SMILES: CCCCC(C)N
InChIKey: WGBBUURBHXLGFM-UHFFFAOYSA-N
分子式: C6H15N
平均分子量: 101.19 g/mol
单同位素质量: 101.12044948

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 3
重原子: 7
形式电荷: 0
复杂度: 35

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

720

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Flam. Liq. 2 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

2-Hexanamine: ACTIVE

ALIASES

名称与别名

共 39 条

2-Aminohexane5329-79-32-HexanamineNSC 2601EINECS 226-220-9AI3-16553DTXSID60884146RefChem:87276DTXCID90835282WGBBUURBHXLGFM-UHFFFAOYSA-N1-Methylpentylaminehexan-2-amine2-HexylaminePentylamine, 1-methyl-2-Hexylamine; NSC 2601(2R)-2-hexanamineNSC26011-methyl-pentylamine(R)-2-Hexylamine(S)-2-Hexylamine

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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