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Structure

3-(5-Chloro-1H-benzimidazol-2-yl)propan-1-amine dihydrochloride

CAS
915921-08-3
Catalog Number
ACM915921083
Category
Other Products
Molecular Weight
209.68
Molecular Formula
C10H12ClN3

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Specification

Synonyms
3-(5-chloro-1H-benzimidazol-2-yl)propan-1-amine, SBB046426, 3-(5-chloro-1H-1,3-benzodiazol-2-yl)propan-1-amine, 915921-08-3, 3-(5-chloro-1H-benzimidazol-2-yl)propan-1-amine dihydrochloride, Ambcb4002551, BESTIPHARMA 540-339, CTK5G9954, MolPort-003-178-854, MolPort-009-196-663, ALBB-000329, STK502231, AKOS000321658, AKOS004120115, AB25072, AG-H-75974, 3-(6-chlorobenzimidazol-2-yl)propylamine, KB-95329, BB 0240344, BB 0240386
IUPAC Name
3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine
Canonical SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CCCN
InChI Key
AUWKJRWGANKURK-UHFFFAOYSA-N
Boiling Point
438ºC at 760 mmHg
Flash Point
218.7ºC
Density
1.31g/cm³
Exact Mass
209.07200
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44118426?

The molecular formula is C10H14Cl3N3.

When was this compound created in PubChem?

It was created on July 21, 2009.

What is the IUPAC name of the compound?

The IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine dihydrochloride.

What is the InChIKey of the compound?

The InChIKey is ZCMSVNPWVGLUFT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

It has 4 hydrogen bond donor counts.

What is the total number of heavy atoms in the compound?

There are 16 heavy atoms in the compound.

What is the exact mass of the compound?

The exact mass is 281.025331 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of the compound?

The topological polar surface area is 54.7 Ų.

How many rotatable bond counts does the compound have?

It has 3 rotatable bond counts.

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