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Diphenylguanidine phthalate

CAT: 0286-D51020Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D51020Size:100 g
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CAS Number
17573-13-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00035538
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzene-1,2-dicarboxylic acid--N,N-diphenylguanidine (1/1)
CAS Number17573-13-6
PubChem CID21297472
IUPAC Name1,1-diphenylguanidine;phthalic acid
Molecular FormulaC21H19N3O4
Molecular Weight377.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity387
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C13H13N3.C8H6O4/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-10H,(H3,14,15);1-4H,(H,9,10)(H,11,12)
InChIKey
PRXNPIICCNGNEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene-1,2-dicarboxylic acid--N,N-diphenylguanidine (1/1)
CAS: 17573-13-6
CID: 21297472
Formula: C21H19N3O4
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass377.13755610
Monoisotopic Mass377.13755610
Topological Polar Surface Area128 Ų
Heavy Atom Count28
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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