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Structure

1-(1-Amino-2-methyl-propyl)naphthalen-2-ol

CAS
915866-74-9
Catalog Number
ACM915866749
Category
Other Products
Molecular Weight
215.290880 [g/mol]
Molecular Formula
C14H17NO

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Specification

Synonyms
1-(1-Amino-2-methyl-propyl)naphthalen-2-ol, 915866-74-9, AGN-PC-00SVYX, CTK5G9850, AB49894, AG-H-75854, 1-(1-amino-2-methylpropyl)naphthalen-2-ol
IUPAC Name
1-(1-amino-2-methylpropyl)naphthalen-2-ol
Canonical SMILES
CC(C)C(C1=C(C=CC2=CC=CC=C21)O)N
InChI Key
MYFKTRVPAJLXPM-UHFFFAOYSA-N
Boiling Point
374.8ºC at 760 mmHg
Flash Point
180.5ºC
Density
1.117g/cm³
Exact Mass
215.13100
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound?

The molecular formula of the compound is C14H17NO.

What is the molecular weight of the compound?

The molecular weight of the compound is 215.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(1-amino-2-methylpropyl)naphthalen-2-ol.

What is the InChIKey of the compound?

The InChIKey of the compound is MYFKTRVPAJLXPM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.6.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 46.2 Ų.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the Nikkaji Number of the compound?

The Nikkaji Number of the compound is J2.693.601B.

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