CAS
91718-20-6 Purity
96%
91718-20-6 Purity
96%
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3-(4-Amino-6-anilino-1,3,5-triazin-2-yl)propanoic acid
CAS
91719-85-6
Catalog Number
ACM91719856
Category
Other Products
Molecular Weight
258.255980 [g/mol]
Molecular Formula
C12H13N5O2
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Specification
Synonyms
ZINC03888940, CID7064065, 91719-85-6
IUPAC Name
3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoate
InChI Key
YHFYRDPSKOMPRH-UHFFFAOYSA-M
Boiling Point
585ºC at 760 mmHg
Flash Point
307.6ºC
Exact Mass
259.10700
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula is C12H13N5O2.
What is the molecular weight of the compound?
The molecular weight is 259.26 g/mol.
When was the compound created?
The compound was created on July 29, 2006.
When was the compound last modified?
The compound was last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C12H13N5O2/c13-11-15-9(6-7-10(18)19)16-12(17-11)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,19)(H3,13,14,15,16,17).
What is the InChIKey of the compound?
The InChIKey is YHFYRDPSKOMPRH-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCC(=O)O.
What is the CAS number of the compound?
The CAS number is 91719-85-6.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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