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Diethylpropargylamine

Diethylpropargylamine structure

CAS No:
4079-68-9
Formula:
C7H13N
Chemical Name:
Diethylpropargylamine
Synonyms:
2-Propyn-1-amine,N,N-diethyl-;2-Propynylamine,N,N-diethyl-;N,N-Diethyl-2-propyn-1-amine;3-(Diethylamino)propyne;N,N-Diethylpropargylamine;Diethylpropargylamine;3-(N,N-Diethylamino)propyne;N,N-Diethyl-2-propynylamine;1-(Diethylamino)-2-propyne;3-(Diethylamino)-1-propyne;Propargyldiethylamine;NSC 63868;Golpanol DEP
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Diethylpropargylamine Basic Attributes

Molecular Weight：

111.185

Exact Mass：

111.18

EC Number：

223-804-5

UNII：

9X1BTC8Y1U

NSC Number：

63868

DSSTox ID：

DTXSID5063287

HScode：

2921199090

Characteristics

PSA：

3.24000

XLogP3：

1.54

Appearance：

colorless to yellowish transparent liquid

Density：

0.8042 g/cm³ @ Temp: 25 °C

Melting Point：

157-161°C

Boiling Point：

120 °C

Flash Point：

27.5±16.7 °C

Refractive Index：

1.446

Water Solubility：

Soluble in acid. Insoluble in water.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2733 3/PG 2

wgk germany：

hazard class code：

R11;R21/22;R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

UK5775000

Marks：

F:Flammable;C:Corrosive;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (67.12%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 222 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diethylpropargylamine Use and Manufacturing

Manufacturing Info：

2-Propyn-1-amine, N,N-diethyl-: ACTIVE

Computed Properties

Molecular Weight:111.18
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:111.104799419
Monoisotopic Mass:111.104799419
Topological Polar Surface Area:3.2
Heavy Atom Count:8
Complexity:83.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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