CAS
912762-88-0 Purity
96%
912762-88-0 Purity
96%
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tert-Butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate
CAS
912762-97-1
Catalog Number
ACM912762971
Category
Other Products
Molecular Weight
296.36206
Molecular Formula
C15H24N2O4
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Specification
Synonyms
[2-AMINO-2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER;tert-butylN-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate
IUPAC Name
tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate
Canonical SMILES
CC(C)(C)OC(=O)NCC(C1=CC(=C(C=C1)OC)OC)N
InChI Key
CBRLLEQPSYHBMS-UHFFFAOYSA-N
Boiling Point
440.1ºC at 760 mmHg
Flash Point
220ºC
Density
1.099g/cm³
Exact Mass
296.17400
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The molecular formula is C15H24N2O4.
What is the molecular weight of tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The molecular weight is 296.36 g/mol.
What is the IUPAC name of tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name is tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate.
What is the InChI code for tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The InChI code is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-11(16)10-6-7-12(19-4)13(8-10)20-5/h6-8,11H,9,16H2,1-5H3,(H,17,18).
What is the InChIKey for tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is CBRLLEQPSYHBMS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate have?
It has 2 hydrogen bond donor counts.
How many rotatable bonds does tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate have?
It has 7 rotatable bonds.
What is the exact mass of tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The exact mass is 296.17360725 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of tert-butyl N-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The topological polar surface area is 82.8 Å2.
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