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2,2-Dimethoxy-1-propanamine

CAT: 0572-TRC-D460213-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460213-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131713-50-3
Hazard Statement
No Data Available
Smiles
COC(C)(CN)OC
Molecular Formula
C5 H13 N O2
Molecular Weight
119.162
InChI
InChI=1S/C5H13NO2/c1-5(4-6,7-2)8-3/h4,6H2,1-3H3
Additionnal Information
IUPAC name: 2,2-dimethoxypropan-1-amine
Shipping Conditions
Room Temperature

Chemical Information

Benzyl (3-bromo-2-oxopropyl)carbamate
CAS Number131713-50-3
PubChem CID23532303
IUPAC Namebenzyl N-(3-bromo-2-oxopropyl)carbamate
Molecular FormulaC11H12BrNO3
Molecular Weight286.12
XLogP2
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity239
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)CBr
InChI
InChI=1S/C11H12BrNO3/c12-6-10(14)7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)
InChIKey
MAOVWRHEZMBKKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl (3-bromo-2-oxopropyl)carbamate
CAS: 131713-50-3
CID: 23532303
Formula: C11H12BrNO3
MW: 286.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.12
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass285.00006
Monoisotopic Mass285.00006
Topological Polar Surface Area55.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity239
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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