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3-(1-Azepanyl)-1-propanamine

CAT: 0572-TRC-A809785-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A809785-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3437-33-0
Synonyms
Hexahydro-1H-azepine-1-propanamine; 1-(3-Aminopropyl)hexamethylenimine; 3-(1-Azepanyl)-1-propanamine; 3-(Hexahydro-1-azepinyl)propylamine; 3-Hexamethyleneiminopropylamine; 1-(3-Aminopropyl)-hexamethylenimine; 1-(3-Aminopropyl)hexahydro-1H-azepine
Hazard Statement
Combustible liquid
Purity
>95% (HPLC)
Smiles
CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
Molecular Formula
C21 H28 O2
Molecular Weight
312.446
InChI
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17-,18+,19+,20-,21+/m0/s1
Additionnal Information
IUPAC name: (8R,9R,10R,13S,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-(Azepan-1-yl)propan-1-amine
CAS Number3437-33-0
PubChem CID2764395
IUPAC Name3-(azepan-1-yl)propan-1-amine
Molecular FormulaC9H20N2
Molecular Weight156.27
XLogP0.9
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity85
SMILES
C1CCCN(CC1)CCCN
InChI
InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
InChIKey
FXTRRLIESPAUHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Azepan-1-yl)propan-1-amine
CAS: 3437-33-0
CID: 2764395
Formula: C9H20N2
MW: 156.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.27
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass156.162648646
Monoisotopic Mass156.162648646
Topological Polar Surface Area29.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity85.6
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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Alternative Products

CatalogName
422314-013- (1-Azepanyl) -1-propanamine
sc-3117243- (1-Azepanyl) -N-ethyl-1-propanamine
sc-3117253- (1-Azepanyl) propanohydrazide
sc-312483(3-Aminophenyl) (1-azepanyl) methanone
OR965034-011- (3-Pyridinyl) -1-propanamine
FA45168-013-Azido-1-propanamine
425424-013-Ethoxy-1-propanamine
sc-3138084- (1-Azepanyl) -1-butanol
sc-311723A3- (1-Azepanyl) -1,1,1-trifluoro-2-propanol
BMB20484-01[6- (1-Azepanyl) -3-pyridinyl]methanamine

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