Neopentylamine 分子结构式
HCID79882

Neopentylamine

2,2-dimethylpropan-1-amine

C5H13N87.16 g/molCAS 5813-64-9

IDENTITY

结构与身份

标准SMILES
CC(C)(C)CN
InChIKey
XDIAMRVROCPPBK-UHFFFAOYSA-N
分子式
C5H13N
平均分子量
87.16 g/mol
单同位素质量
87.10479942

COMPUTED

结构计算性质

已同步
XLogP
1
极性表面积
26 Ų
氢键供体
1
氢键受体
1
可旋转键
1
重原子
6
形式电荷
0
复杂度
33

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).;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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Flam. Liq. 2 (97.8%);Acute Tox. 4 (91.3%);Skin Corr. 1B (97.8%)

ALIASES

名称与别名

共 57 条
Neopentylamine5813-64-92,2-Dimethyl-1-propylamineNSC-165660988C7435J3DTXSID4022232RefChem:832337DTXCID302232227-378-12,2-dimethylpropan-1-amine2,2-Dimethylpropylamine1-Propanamine, 2,2-dimethyl-MFCD000081341-Amino-2,2-dimethylpropaneneo-C5H11NH22,2-dimethyl-propylaminepropane, 1-amino-2,2-dimethyl-2,2-Dimethyl-1-propanamineEINECS 227-378-1NSC 165660

REACTIONS

参与反应

278
HRID 25216 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858603B2

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HRID 38957 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524766B2

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HRID 38961 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524766B2

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HRID 61603 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440961B2

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HRID 74256 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829035B2

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HRID 86534 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 88795 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 97731 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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