CAS
90521-82-7 Purity
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90521-82-7 Purity
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3-Amino-N-(tert-butyl)-2-methylbenzamide
CAS
905234-93-7
Catalog Number
ACM905234937
Category
Other Products
Molecular Weight
206.284120 [g/mol]
Molecular Formula
C12H18N2O
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Specification
Synonyms
STK292477, 3-amino-N-tert-butyl-2-methylbenzamide, SureCN6648364, AGN-PC-010HL3, CTK5G8042, MolPort-002-997-828, BBL002055, ZINC15746126, AKOS000132284, AG-H-71439, MCULE-3462920001, 3-AMINO-N-(TERT-BUTYL)-2-METHYLBENZAMIDE, 905234-93-7
IUPAC Name
3-amino-N-tert-butyl-2-methylbenzamide
InChI Key
IXEWVCCLFLNMKU-UHFFFAOYSA-N
Boiling Point
337.9ºC at 760 mmHg
Flash Point
158.156ºC
Density
1.042g/cm³
Exact Mass
206.14200
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C12H18N2O.
What is the molecular weight of the compound?
The molecular weight of the compound is 206.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-amino-N-tert-butyl-2-methylbenzamide.
What is the Canonical SMILES notation of the compound?
The Canonical SMILES notation of the compound is CC1=C(C=CC=C1N)C(=O)NC(C)(C)C.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H18N2O/c1-8-9(6-5-7-10(8)13)11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is IXEWVCCLFLNMKU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55.1 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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