N-[2,4-bis(cyanomethyl)-5-methylbenzyl]acetamide(CAS No. 55329-67-4) CAS NO.55329-67-4

Min.Order: 1 Kilogram
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Product Details

Keywords

N-[[2,4-bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide
55329-67-4
98%

Quick Details

ProName: N-[2,4-bis(cyanomethyl)-5-methylbenzyl...
CasNo: 55329-67-4
Molecular Formula: C14H15N3O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
N-[2,4-bis(cyanomethyl)-5-methylbenzyl]acetamide
【Iupac name】
N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide
【CAS Registry number】
55329-67-4
【Synonyms】
55329-67-4
NSC295751
AC1L6XK4
NSC-295751
N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide
N-[[2,4-BIS(CYANOMETHYL)-5-METHYL-PHENYL]METHYL]ACETAMIDE
【Molecular Formula】
C14H15N3O (Products with the same molecular formula)
【Molecular Weight】
241.2884
【Inchi】
InChI=1/C14H15N3O/c1-10-7-14(9-17-11(2)18)13(4-6-16)8-12(10)3-5-15/h7-8H,3-4,9H2,1-2H3,(H,17,18)
【Canonical SMILES】
CC1=CC(=C(C=C1CC#N)CC#N)CNC(=O)C
Chemical and Physical Properties
【Density】
1.13g/cm3
【Boiling Point】
523.9°C at 760 mmHg
【Refractive Index】
1.548
【Flash Point】
270.6°C
【Computed Properties】
Molecular Weight:241.2884 [g/mol]
Molecular Formula:C14H15N3O
XLogP3-AA:0.7
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:241.121512
MonoIsotopic Mass:241.121512
Topological Polar Surface Area:76.7
Heavy Atom Count:18
Formal Charge:0
Complexity:386
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:183

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