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  • Calcium; 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate;3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate

Calcium; 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate;3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate

CAS
77966-96-2
Catalog Number
ACM77966962
Category
Other Products
Molecular Weight
1362.06 g/mol
Molecular Formula
C32H24CaI6N4O6

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Specification

Synonyms
Calcium iobenzamate, ST 5066/Ca [German], N-(3-Amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alanine calcium salt, N-(3-Amino-2,4,6-triiodobenzoyl)-N-phenyl-3-aminopropionic acid, calcium, beta-ALANINE, N-(3-AMINO-2,4,6-TRIIODOBENZOYL)-N-PHENYL-, CALCIUM SALT, 77966-96-2, AC1L1G10, ST 5066/Ca, LS-15799, calcium 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate, calcium bis{3-[(3-amino-2,4,6-triiodobenzoyl)(phenyl)amino]propanoate}
IUPAC Name
calcium;3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate
Canonical SMILES
C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Ca+2]
InChI Key
OHWYOBDGJKRAOI-UHFFFAOYSA-L
Boiling Point
702.8ºC at 760 mmHg
Flash Point
378.8ºC
Exact Mass
1361.56000
H-Bond Acceptor
8
H-Bond Donor
2
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