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CAT: 0926-FA46974-04Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0926-FA46974-04Size:1000 g
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CAS Number
115-69-5
Synonyms
2-Amino-2-methyl-1,3-propanediol
MDL Number
MFCD00004678
Smiles
CC (CO) (CO) N
Molecular Formula
C4H11NO2
Molecular Weight
105.14 g/mol
Controlled
No

Chemical Information

2-Amino-2-methyl-1,3-propanediol

2-amino-2-methylpropane-1,3-diol is an aminodiol that is propane-1,3-diol substituted ny an amino and a methyl group at position 2.

CAS Number115-69-5
PubChem CID1531
IUPAC Name2-amino-2-methylpropane-1,3-diol
Molecular FormulaC4H11NO2
Molecular Weight105.14
XLogP-1.8
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity51
SMILES
CC(CO)(CO)N
InChI
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKey
UXFQFBNBSPQBJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2-methyl-1,3-propanediol
CAS: 115-69-5
CID: 1531
Formula: C4H11NO2
MW: 105.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight105.14
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass105.078978594
Monoisotopic Mass105.078978594
Topological Polar Surface Area66.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity51.7
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

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