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Structure

Benzene-1,4-diamine(4-methylbenzenesulfonate)

CAS
94441-91-5
Catalog Number
ACM94441915
Category
Other Products
Molecular Weight
280.342740 [g/mol]
Molecular Formula
C7H8O3S.C6H8N2

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Specification

Synonyms
Benzene-1,4-diamine (4-methylbenzenesulphonate), 94441-91-5, CTK3I7426, EINECS 305-317-0, AG-H-89922
IUPAC Name
benzene-1,4-diamine;4-methylbenzenesulfonic acid
InChI Key
IZTQDNPOJDAVTP-UHFFFAOYSA-N
Boiling Point
542.9ºC at 760mmHg
Flash Point
282.2ºC
Exact Mass
280.08800
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of Benzene-1,4-diamine(4-methylbenzenesulfonate)?

The molecular formula of Benzene-1,4-diamine(4-methylbenzenesulfonate) is C13H16N2O3S.

When was Benzene-1,4-diamine(4-methylbenzenesulfonate) created and modified in PubChem?

Benzene-1,4-diamine(4-methylbenzenesulfonate) was created on 2007-12-05 and last modified on 2023-12-30 in PubChem.

What is the IUPAC Name of Benzene-1,4-diamine(4-methylbenzenesulfonate)?

The IUPAC Name of Benzene-1,4-diamine(4-methylbenzenesulfonate) is benzene-1,4-diamine;4-methylbenzenesulfonic acid.

What is the InChIKey of Benzene-1,4-diamine(4-methylbenzenesulfonate)?

The InChIKey of Benzene-1,4-diamine(4-methylbenzenesulfonate) is IZTQDNPOJDAVTP-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in Benzene-1,4-diamine(4-methylbenzenesulfonate)?

There are 3 hydrogen bond donor counts in Benzene-1,4-diamine(4-methylbenzenesulfonate).

What is the exact mass of Benzene-1,4-diamine(4-methylbenzenesulfonate)?

The exact mass of Benzene-1,4-diamine(4-methylbenzenesulfonate) is 280.08816355 g/mol.

Does Benzene-1,4-diamine(4-methylbenzenesulfonate) have any defined atom stereocenter count?

No, Benzene-1,4-diamine(4-methylbenzenesulfonate) has 0 defined atom stereocenter count.

What is the topological polar surface area of Benzene-1,4-diamine(4-methylbenzenesulfonate)?

The topological polar surface area of Benzene-1,4-diamine(4-methylbenzenesulfonate) is 115 Ų.

How many heavy atoms are there in Benzene-1,4-diamine(4-methylbenzenesulfonate)?

There are 19 heavy atoms in Benzene-1,4-diamine(4-methylbenzenesulfonate).

Is the compound of Benzene-1,4-diamine(4-methylbenzenesulfonate) canonicalized according to PubChem?

Yes, the compound of Benzene-1,4-diamine(4-methylbenzenesulfonate) is canonicalized in PubChem.

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