Name: Name:tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate
Brand: Angene
SKU: AG00CK4E
Rating: 90 (10 reviews)

tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate

CAS No.:

333986-61-1

Catalog Number:

AG00CK4E

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

97%

In Stock USA

United States

$169

- +

97%

In Stock USA

United States

$594

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Catalog Number:

AG00CK4E

Chemical Name:

tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate

CAS Number:

333986-61-1

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

MDL Number:

MFCD11553055

IUPAC Name:

tert-butyl 4-(4-nitroanilino)piperidine-1-carboxylate

InChI:

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-10-8-13(9-11-18)17-12-4-6-14(7-5-12)19(21)22/h4-7,13,17H,8-11H2,1-3H3

InChI Key:

JXTFWZONKMNENB-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)Nc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.377g/mol

Monoisotopic Mass:

321.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2