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Structure

3-Ammoniopropyl(dimethyl)ammonium hydrogen phosphate

CAS
94135-62-3
Catalog Number
ACM94135623
Category
Other Products
Molecular Weight
200.173241 [g/mol]
Molecular Formula
C5H17N2O4P

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Specification

Synonyms
EINECS 302-932-6, 3-Ammoniopropyl(dimethyl)ammonium hydrogen phosphate, 94135-62-3
IUPAC Name
3-azaniumylpropyl(dimethyl)azanium; hydrogen phosphate
InChI Key
JRULVRXGHVZGQG-UHFFFAOYSA-N
Exact Mass
200.09300
H-Bond Acceptor
4
H-Bond Donor
3
What is the IUPAC name of the compound with PubChem CID 16206006?

The IUPAC name is 3-azaniumylpropyl(dimethyl)azanium;hydrogen phosphate.

What is the molecular formula of the compound with PubChem CID 16206006?

The molecular formula is C5H17N2O4P.

What is the molecular weight of the compound with PubChem CID 16206006?

The molecular weight is 200.17 g/mol.

What are the synonyms for the compound with PubChem CID 16206006?

The synonyms include 3-Ammoniopropyl(dimethyl)ammonium hydrogen phosphate, 94135-62-3, and EINECS 302-932-6.

What is the Canonical SMILES for the compound with PubChem CID 16206006?

The Canonical SMILES is C[NH+](C)CCC[NH3+].OP(=O)([O-])[O-].

How many hydrogen bond donor counts does the compound with PubChem CID 16206006 have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound with PubChem CID 16206006 have?

It has 4 hydrogen bond acceptor counts.

What is the exact mass of the compound with PubChem CID 16206006?

The exact mass is 200.09259403 g/mol.

How many rotatable bond counts does the compound with PubChem CID 16206006 have?

It has 3 rotatable bond counts.

Is the compound with PubChem CID 16206006 canonicalized?

Yes, the compound is canonicalized according to PubChem.

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