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Structure

[2-Amino-2-(2,4-dimethoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester

CAS
912763-00-9
Catalog Number
ACM912763009
Category
Other Products
Molecular Weight
296.36206
Molecular Formula
C15H24N2O4

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Specification

Synonyms
[2-AMINO-2-(2,4-DIMETHOXY-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name
[2-AMINO-2-(2,4-DIMETHOXY-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTE...
Boiling Point
450.2ºC at 760 mmHg
Flash Point
226.1ºC
Density
1.099g/cm³
Exact Mass
296.17400
What is the molecular formula of the compound in PubChem CID 16740565?

The molecular formula is C15H24N2O4.

What is the molecular weight of the compound?

The molecular weight is 296.36 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is tert-butyl N-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]carbamate.

What is the InChI of the compound?

The InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-12(16)11-7-6-10(19-4)8-13(11)20-5/h6-8,12H,9,16H2,1-5H3,(H,17,18).

What is the InChIKey of the compound?

The InChIKey is ZGJWJSYPOVKKER-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)(C)OC(=O)NCC(C1=C(C=C(C=C1)OC)OC)N.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in the compound?

There are 5 hydrogen bond acceptor counts.

How many rotatable bond counts are there in the compound?

There are 7 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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