N~6~-butyl-N~2~,N~2~-dimethyl-5H-purine-2,6-diamine 5451-42-3 CAS NO.5451-42-3

Min.Order: 1 Kilogram
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Product Details

Keywords

N-butyl-N,N-dimethyl-5H-purine-2,6-diamine
5451-42-3
98%

Quick Details

ProName: N~6~-butyl-N~2~,N~2~-dimethyl-5H-purin...
CasNo: 5451-42-3
Molecular Formula: C11H18N6
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Grade: Industrial Grade

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Details

【Name】
N~6~-butyl-N~2~,N~2~-dimethyl-5H-purine-2,6-diamine
【CAS Registry number】
5451-42-3
【Synonyms】
AC1N9RH7
NSC18397
NSC-18397
6-N-butyl-2-N,2-N-dimethyl-7H-purine-2,6-diamine
【Molecular Formula】
C11H18N6 (Products with the same molecular formula)
【Molecular Weight】
234.3008
【Inchi】
InChI=1/C11H18N6/c1-4-5-6-12-9-8-10(14-7-13-8)16-11(15-9)17(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14,15,16)
【Canonical SMILES】
CCCCNC1=NC(=NC2=C1NC=N2)N(C)C
【MOL File】
5451-42-3.mol
Chemical and Physical Properties
【Density】
1.27g/cm3
【Boiling Point】
334°C at 760 mmHg
【Refractive Index】
1.644
【Flash Point】
155.8°C
【Computed Properties】
Molecular Weight:234.30082 [g/mol]
Molecular Formula:C11H18N6
XLogP3-AA:2.1
H-Bond Donor:2
H-Bond Acceptor:0
Rotatable Bond Count:5
Tautomer Count:8
Exact Mass:234.159295
MonoIsotopic Mass:234.159295
Topological Polar Surface Area:69.7
Heavy Atom Count:17
Formal Charge:0
Complexity:234
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 Donor Count:2
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:47

Henan Tianfu Chemical Co., Ltd.