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Structure

4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt

CAS
62796-28-5
Catalog Number
ACM62796285
Category
Organic Phosphine Compounds
Molecular Weight
457.41
Molecular Formula
C16H32N3O10P

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Specification

Synonyms
panediol(1:2);phosphoricacid,mono(4-nitrophenyl)ester,compd.with2-amino-2-ethyl-1,3-pro;4-NITROPHENYL PHOSPHATE BIS(2-AMINO-2-ETHYL-1,3-PROPANEDIOL) SALT;4-NITROPHENYL PHOSPHATE DI(2-AMINO-2-ETHYL-1,3-PROPANEDIOL) SALT;4-NITROPHENYL PHOSPHATE DI(2-ETHYL-
IUPAC Name
2-amino-2-ethylpropane-1,3-diol;(4-nitrophenyl)dihydrogenphosphate
Canonical SMILES
CCC(CO)(CO)N.CCC(CO)(CO)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
InChI Key
YVXXRFJXBIWXFT-UHFFFAOYSA-N
Boiling Point
457.8ºC at 760 mmHg
Flash Point
230.7ºC
EC Number
263-734-2
Exact Mass
457.18300
What is the molecular formula of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The molecular formula is C16H32N3O10P.

What are some synonyms for 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

Some synonyms include Mono(4-nitrophenyl) phosphate 2-ethyl-2-amino-1,3-propanediol salt and p-Nitrophenylphosphate, 2-amino-2-ethyl-1,3-propanediol salt.

What is the molecular weight of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The molecular weight is 457.41 g/mol.

What is the IUPAC name of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The IUPAC name is 2-amino-2-ethylpropane-1,3-diol;(4-nitrophenyl) dihydrogen phosphate.

What is the InChIKey of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The InChIKey is YVXXRFJXBIWXFT-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The Canonical SMILES is CCC(CO)(CO)N.CCC(CO)(CO)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.

What is the CAS number of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The CAS number is 62796-28-5.

How many hydrogen bond donor counts are there in 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

There are 8 hydrogen bond donor counts.

What is the topological polar surface area of 4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt?

The topological polar surface area is 246Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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