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N1-Boc-spermidine

CAT: 0127-OR88373-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR88373-01Size:100 mg
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CAS Number
133264-68-3
MDL Number
MFCD25656845
Purity
95%
Smiles
O=C(NCCCNCCCCN)OC(C)(C)C

Chemical Information

N1-Boc-spermidine
CAS Number133264-68-3
PubChem CID15270803
IUPAC Nametert-butyl N-[3-(4-aminobutylamino)propyl]carbamate
Molecular FormulaC12H27N3O2
Molecular Weight245.36
XLogP0.6
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity202
SMILES
CC(C)(C)OC(=O)NCCCNCCCCN
InChI
InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)15-10-6-9-14-8-5-4-7-13/h14H,4-10,13H2,1-3H3,(H,15,16)
InChIKey
GCXNYYJMHBVSHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-Boc-spermidine
CAS: 133264-68-3
CID: 15270803
Formula: C12H27N3O2
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass245.21032711
Monoisotopic Mass245.21032711
Topological Polar Surface Area76.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity202
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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