N,N-Diethyl-1-propyn-1-amine

HCID 77909CAS 4231-35-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC#CN(CC)CC
InChIKey
RJSCZBRDRBIRHP-UHFFFAOYSA-N
Molecular formula
C7H13N
Average molar mass
111.18 g/mol
Monoisotopic mass
111.10479942

Names & identifiers

Preferred name
N,N-Diethyl-1-propyn-1-amine
IUPAC
N,N-diethylprop-1-yn-1-amine
English name
N,N-diethyl-1-propynylamine
Molecular formula
C7H13N
Molecular weight
111.18

Names & synonyms

4231-35-0PropargyldiethylamineN,N-diethyl-1-Propyn-1-amineRefChem:1090421224-185-4Diethyl(1-propynyl)amineN,N-diethylprop-1-yn-1-amineN,N-Diethyl-1-propynylamine(Diethylamino)propyneDiethylamino-1-propyne1-(Diethylamino)propyleneN,N-Diethyl-1-propynamine
Show more names
1-(Diethylamino)propynen,n-diethyl-1-propynylaminn,n-diethyl-1-propyn-1-amin
1-(Diethylamino)-1-propyne1-(N,N-Diethylamino)propyneDiethylamine, N-1-propynyl-1-(Diethylenamino)-1-propyne1-Propyn-1-amine, N,N-diethyl-N,N-DiethylaminopropyneN-(1-Propynyl)diethylamineMethyl(diethylamino)acetylene

Database identifiers

CAS
4231-35-0
PubChem CID
77909
DTXSID
DTXSID60195128
EC Number
224-185-4
Nikkaji
J35.383C

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

Kovats Retention Index823

Physicochemical properties

Boiling point
173.35 °C · 173.35°C (rough estimate)
Density
0.8743 · 0.8743 (estimate)
refractive index
1.4409 · 1.4409 (estimate)
pka
8.5 · 8.50±0.70(Predicted)
RIDADR
2922 · 2922
HazardClass
8 · 8

Safety & regulation

Safety data

ridadr
2922
hazard_class
8
packing_group
II

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers3 total

武汉卓创远航化工有限公司18771133548 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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