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3-Dipropylamino-1-propyne

CAT: 0286-D53010Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-D53010Size:25 g
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CAS Number
6323-79-1
UN Code
UN2733
Pictogram
02 - Flammable; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00041626
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Amines, Flammable, Corrosive, N.O.S.
DOT Classification
Class 3, 8
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

N,N-Dipropyl-2-propyn-1-amine
CAS Number6323-79-1
PubChem CID138724
IUPAC NameN-propyl-N-prop-2-ynylpropan-1-amine
Molecular FormulaC9H17N
Molecular Weight139.24
XLogP2.2
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CCCN(CCC)CC#C
InChI
InChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h1H,5-9H2,2-3H3
InChIKey
ATTMKPWGJILFFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dipropyl-2-propyn-1-amine
CAS: 6323-79-1
CID: 138724
Formula: C9H17N
MW: 139.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass139.136099547
Monoisotopic Mass139.136099547
Topological Polar Surface Area3.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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