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1-Pyrrolidinemethanamine

CAT: 0572-TRC-P887590-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P887590-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887596-95-4
Hazard Statement
No Data Available
Smiles
NCN1CCCC1
Molecular Formula
C5 H12 N2
Molecular Weight
100.162
InChI
InChI=1S/C5H12N2/c6-5-7-3-1-2-4-7/h1-6H2
Additionnal Information
IUPAC name: pyrrolidin-1-ylmethanamine
Shipping Conditions
Room Temperature

Chemical Information

1-Pyrrolidinemethanamine
CAS Number887596-95-4
PubChem CID13333400
IUPAC Namepyrrolidin-1-ylmethanamine
Molecular FormulaC5H12N2
Molecular Weight100.16
XLogP0.2
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity48
SMILES
C1CCN(C1)CN
InChI
InChI=1S/C5H12N2/c6-5-7-3-1-2-4-7/h1-6H2
InChIKey
VMPYTOIPVPQDNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Pyrrolidinemethanamine
CAS: 887596-95-4
CID: 13333400
Formula: C5H12N2
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass100.100048391
Monoisotopic Mass100.100048391
Topological Polar Surface Area29.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity48
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