N~5~-(5-butylpyrimidin-2-yl)ornithine(CAS No. 55684-35-0) CAS NO.55684-35-0

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Product Details

Keywords

2-amino-5-[(5-butylpyrimidin-2-yl)amino]pentanoic acid
55684-35-0
98%

Quick Details

ProName: N~5~-(5-butylpyrimidin-2-yl)ornithine(...
CasNo: 55684-35-0
Molecular Formula: C13H22N4O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
N~5~-(5-butylpyrimidin-2-yl)ornithine
【Iupac name】
2-amino-5-[(5-butylpyrimidin-2-yl)amino]pentanoic acid
【CAS Registry number】
55684-35-0
【Synonyms】
NSC222814
AC1L7LT9
NSC-222814
2-amino-5-[(5-butylpyrimidin-2-yl)amino]pentanoic acid
55684-35-0
【Molecular Formula】
C13H22N4O2 (Products with the same molecular formula)
【Molecular Weight】
266.3394
【Inchi】
InChI=1/C13H22N4O2/c1-2-3-5-10-8-16-13(17-9-10)15-7-4-6-11(14)12(18)19/h8-9,11H,2-7,14H2,1H3,(H,18,19)(H,15,16,17)
【Canonical SMILES】
CCCCC1=CN=C(N=C1)NCCCC(C(=O)O)N
Chemical and Physical Properties
【Density】
1.179g/cm3
【Boiling Point】
481°C at 760 mmHg
【Refractive Index】
1.573
【Flash Point】
244.7°C
【Computed Properties】
Molecular Weight:266.33938 [g/mol]
Molecular Formula:C13H22N4O2
XLogP3-AA:-0.5
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:9
Tautomer Count:2
Exact Mass:266.174276
MonoIsotopic Mass:266.174276
Topological Polar Surface Area:101
Heavy Atom Count:19
Formal Charge:0
Complexity:255
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:313

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