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Bis (cyclopropylmethyl) amine

CAT: 0926-BBA38968-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BBA38968-01Size:100 mg
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CAS Number
26389-68-4
MDL Number
MFCD12138694
Smiles
C1CC1CNCC2CC2
Molecular Formula
C8H15N
Molecular Weight
125.21 g/mol
Controlled
No

Chemical Information

Bis(cyclopropylmethyl)amine
CAS Number26389-68-4
PubChem CID15284719
IUPAC Name1-cyclopropyl-N-(cyclopropylmethyl)methanamine
Molecular FormulaC8H15N
Molecular Weight125.21
XLogP1.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
C1CC1CNCC2CC2
InChI
InChI=1S/C8H15N/c1-2-7(1)5-9-6-8-3-4-8/h7-9H,1-6H2
InChIKey
ZAHWCHOEOKIPLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(cyclopropylmethyl)amine
CAS: 26389-68-4
CID: 15284719
Formula: C8H15N
MW: 125.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.21
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass125.120449483
Monoisotopic Mass125.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.7
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