CAS
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Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate
Catalog Number
ACMA00001009
Category
Amines
Molecular Weight
207.27
Molecular Formula
C12H15NO2
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The molecular formula is C12H17NO2.
What is the molecular weight of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The molecular weight is 207.27 g/mol.
What is the IUPAC name of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The IUPAC name is methyl 3-amino-3-(2,4-dimethylphenyl)propanoate.
What is the InChI of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The InChI is InChI=1S/C12H17NO2/c1-8-4-5-10(9(2)6-8)11(13)7-12(14)15-3/h4-6,11H,7,13H2,1-3H3.
What is the InChIKey of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The InChIKey is DVOQYEQMVYMSJH-UHFFFAOYSA-N.
What is the canonical SMILES of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The canonical SMILES is CC1=CC(=C(C=C1)C(CC(=O)OC)N)C.
What is the XLogP3-AA value of methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The XLogP3-AA value is 1.4.
How many hydrogen bond donor counts does methyl 3-amino-3-(2,4-dimethylphenyl)propanoate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does methyl 3-amino-3-(2,4-dimethylphenyl)propanoate have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does methyl 3-amino-3-(2,4-dimethylphenyl)propanoate have?
It has 4 rotatable bond counts.
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