tert-Butyl 2-Amino-4-(4-methyl-1-piperazinyl)benzoate - CAS 1034975-35-3
Catalog:
BB001157
Product Name:
tert-Butyl 2-Amino-4-(4-methyl-1-piperazinyl)benzoate
CAS:
1034975-35-3
Synonyms:
2-amino-4-(4-methyl-1-piperazinyl)benzoic acid tert-butyl ester; tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate
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BB001157
10 g
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IUPAC Name: tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate
Molecular Weight: 291.39
Molecular Formula: C16H25N3O2
Canonical SMILES: CC(C)(C)OC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C)N
InChI: InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)13-6-5-12(11-14(13)17)19-9-7-18(4)8-10-19/h5-6,11H,7-10,17H2,1-4H3
InChI Key: DIFVPEGUJIXKOC-UHFFFAOYSA-N
Boiling Point: 446.5±45.0 °C at 760 mmHg
Density: 1.1±0.1 g/cm3
Storage: Keep in dark place, Inert atmosphere, 2-8 °C
LogP: 2.56000
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P264, P270, P301+P312, P330, and P501
Signal Word: Warning
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Complexity: 359
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 291.19467705
Formal Charge: 0
Heavy Atom Count: 21
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 291.19467705
Rotatable Bond Count: 4
Topological Polar Surface Area: 58.8 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.6
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Amines and Anilines
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