Products for Research Use Only

2- (3-Chlorophenyl) propan-1-amine

CAT: 0926-HTB55506-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-HTB55506-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1082555-06-3
MDL Number
MFCD11581789
Smiles
CC (CN) C1=CC (=CC=C1) Cl
Molecular Formula
C9H12ClN
Molecular Weight
169.65 g/mol
Controlled
No

Chemical Information

2-(3-Chlorophenyl)propan-1-amine
CAS Number1082555-06-3
PubChem CID23541656
IUPAC Name2-(3-chlorophenyl)propan-1-amine
Molecular FormulaC9H12ClN
Molecular Weight169.65
XLogP2.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
CC(CN)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7H,6,11H2,1H3
InChIKey
CUOBYVASRNWRRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenyl)propan-1-amine
CAS: 1082555-06-3
CID: 23541656
Formula: C9H12ClN
MW: 169.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.65
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass169.0658271
Monoisotopic Mass169.0658271
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes