AG003V3V

57609-64-0 | Propane-1,3-diyl bis(4-aminobenzoate)

AG003V3V

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CAS Number	57609-64-0
Catalog Number	AG003V3V(AGN-PC-0SO3OG)
Chemical Name	Propane-1,3-diyl bis(4-aminobenzoate)
EC Number	260-847-9
IUPAC Name	3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate
InChI	InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
InChI Key	YPACMOORZSDQDQ-UHFFFAOYSA-N
MDL Number	MFCD00129765
Molecular Formula	C17H18N2O4
Molecular Weight	314.3358
SMILES	O=C(OCCCOC(C1=CC=C(N)C=C1)=O)C2=CC=C(N)C=C2
UNII	8860R9ORQR
Synonyms	Polacure 740M, propane-1,3-diyl bis(4-aminobenzoate), trimethyleneglycol di-4-(aminobenzoate), 57609-64-0, Propane-1,3-diyl bis(4-aminobenzoate), Polacure 740M, 1,3-Propanediol bis(4-aminobenzoate), Trimethylene Bis(4-aminobenzoate), UNII-8860R9ORQR, 1,3-Propanediol, bis(4-aminobenzoate), CCRIS 3552, EINECS 260-847-9, 1,3-Propanediol, di(p-aminobenzoate), Trimethylene glycol di(p-aminobenzoate), 8860R9ORQR, 1,3-Bis(4-aminobenzoyloxy)propane, 3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate, 1,3-Propanediol, 1,3-bis(4-aminobenzoate), W-105455, 1,3-Propanediol, di-p-aminobenzoate, 1,3-Propanediyl bis(4-aminobenzoate), ACMC-209lz9, AC1L3PY4, DSSTox_CID_24960, DSSTox_RID_80615, DSSTox_GSID_44960, Propylene glycol bis (4-aminobenzoate) [CUA-4], SCHEMBL48450, AC1Q67N0, CHEMBL3183528, DTXSID3044960, trimethylenebis(4-aminobenzoate), CTK5A7156, YPACMOORZSDQDQ-UHFFFAOYSA-N, ZINC2504537, Tox21_301701, 8501AB, ANW-32755, MFCD00129765, 1,3-propanediol bis(p-aminobenzoate), 1,3-propanediol di-(p-aminobenzoate), AKOS015903107, MCULE-3780940662, KS-000015O1, NCGC00256115-01, AC-18377, AJ-35991, AN-39923, Bis(4-aminobenzoic acid)trimethylene ester, 1,3-Propanediol,1,3-bis(4-aminobenzoate), CAS-57609-64-0, LS-179803, TC-121500, FT-0698624, ST24031569, ST51038348, T1646, 3-(4-aminophenylcarbonyloxy)propyl 4-aminobenzoate, A832284, 3-(4-aminophenyl)carbonyloxypropyl 4-azanylbenzoate, I14-19212, 1,3-Propanediol bis(4-aminobenzoate), powder (Granular), 98%, 4-aminobenzoic acid 3-[(4-aminophenyl)-oxomethoxy]propyl ester, Trimethylenebis, C17H18N2O4, CID93312, AR-1L2152, C17-H18-N2-O4, 1,3-Propanediol, bis[4-aminobenzoate], 593-66-8,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.127g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	314.341g/mol
Monoisotopic Mass	314.127g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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