CAS
913829-90-0 Purity
96%
913829-90-0 Purity
96%
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4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate
CAS
913830-33-8
Catalog Number
ACM913830338
Category
Other Products
Molecular Weight
332.6975
Molecular Formula
C12H24Cl3N3O
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Specification
Synonyms
4-METHYLHOMOPIPERAZINE-4-AMINOBENZENE TRIHYDROCHLORIDE MONOHYDRATE;4-(4-Methylhomopiperazin-1-yl)aniline trihydrochloride monohydrate
IUPAC Name
4-(4-methyl-1,4-diazepan-1-yl)aniline;hydrate;trihydrochloride
Canonical SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)N.O.Cl.Cl.Cl
InChI Key
RSGOMRQTIZQMIR-UHFFFAOYSA-N
Boiling Point
510.7ºC at 760 mmHg
Melting Point
238-250ºC
Flash Point
262.7ºC
Exact Mass
331.09800
H-Bond Acceptor
4
H-Bond Donor
5
What is the molecular formula of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
The molecular formula is C12H24Cl3N3O.
When was 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate created and last modified?
It was created on 2009-07-21 and last modified on 2023-12-30.
What is the molecular weight of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
The molecular weight is 332.7 g/mol.
What are some synonyms for 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
Some synonyms include DTXSID70657303 and 4-(4-methyl-1,4-diazepan-1-yl)aniline trihydrochloride hydrate.
What is the InChIKey of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
The InChIKey is RSGOMRQTIZQMIR-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate have?
It has 5 hydrogen bond donor counts.
What is the topological polar surface area of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
The topological polar surface area is 33.5 Å2.
How many rotatable bond counts does 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate have?
It has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?
The complexity is 187.
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