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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11N.C3H7O3P
Molecular Weight 243.2393
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of cis-Propenylphosphonic acid (R)-(+)-a-methylbenzylamine salt

SMILES

C\C=C/P(O)(O)=O.C[C@@H](N)C1=CC=CC=C1

InChI

InChIKey=CUMLAIKEAHWEFG-POMABLRUSA-N
InChI=1S/C8H11N.C3H7O3P/c1-7(9)8-5-3-2-4-6-8;1-2-3-7(4,5)6/h2-7H,9H2,1H3;2-3H,1H3,(H2,4,5,6)/b;3-2-/t7-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C3H7O3P
Molecular Weight 122.0596
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C8H11N
Molecular Weight 121.1796
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:30 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:30 GMT 2025
Record UNII
UB28J65JLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phosphonic acid, P-(1Z)-1-propen-1-yl-, compd. with (?R)-?-methylbenzenemethanamine
Preferred Name English
cis-Propenylphosphonic acid (R)-(+)-a-methylbenzylamine salt
Common Name English
Phosphonic acid, P-(1Z)-1-propen-1-yl-, compd. with (?R)-?-methylbenzenemethanamine (1:1)
Systematic Name English
Code System Code Type Description
CAS
933443-26-6
Created by admin on Wed Apr 02 21:23:30 GMT 2025 , Edited by admin on Wed Apr 02 21:23:30 GMT 2025
PRIMARY
FDA UNII
UB28J65JLD
Created by admin on Wed Apr 02 21:23:30 GMT 2025 , Edited by admin on Wed Apr 02 21:23:30 GMT 2025
PRIMARY
PUBCHEM
169445880
Created by admin on Wed Apr 02 21:23:30 GMT 2025 , Edited by admin on Wed Apr 02 21:23:30 GMT 2025
PRIMARY