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Structure

1-Propanamine,3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-,hydrochloride(1:1)

CAS
926921-62-2
Catalog Number
ACM926921622
Category
Other Products
Molecular Weight
264.194099999999
Molecular Formula
C12H18ClNO.ClH

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Specification

Synonyms
3-[3-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride
IUPAC Name
3-[3-(chloromethyl)phenoxy]-N,N-dimethylpropan-1-amine;hydrochloride
Canonical SMILES
CN(C)CCCOC1=CC=CC(=C1)CCl.Cl
InChI Key
MCRYCZSEVCPYAW-UHFFFAOYSA-N
Boiling Point
358.2ºC at 760 mmHg
Melting Point
100.5ºC
Flash Point
170.5ºC
Exact Mass
263.08400
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24229607?

The molecular formula is C12H19Cl2NO.

What are some synonyms of the compound with PubChem CID 24229607?

Some synonyms include 3-[3-(Dimethylamino)propoxy]benzyl chloride hydrochloride and 3-[3-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride.

When was the compound created in PubChem?

The compound was created on February 29, 2008.

What is the IUPAC name of the compound?

The IUPAC name is 3-[3-(chloromethyl)phenoxy]-N,N-dimethylpropan-1-amine hydrochloride.

What is the InChIKey of the compound?

The InChIKey is MCRYCZSEVCPYAW-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the exact mass of the compound?

The exact mass is 263.0843696 g/mol.

How many heavy atoms are present in the compound?

There are 16 heavy atoms present in the compound.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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