N-tert-butyl-3-nitropyridin-2-amine

HCID 601972
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Basic information

CAS
79371-45-2
Standard SMILES
CC(C)(C)Nc1ncccc1[N+](=O)[O-]
InChIKey
VBLKGHCNQATLJX-UHFFFAOYSA-N
Molecular formula
C9H13N3O2
Average molar mass
195.22 g/mol
Monoisotopic mass
195.10077667

Names & identifiers

Preferred name
N-tert-butyl-3-nitropyridin-2-amine
IUPAC
N-tert-butyl-3-nitropyridin-2-amine
English name
N-tert-butyl-3-nitropyridin-2-amine
Molecular formula
C9H13N3O2
Molecular weight
195.22

Names & synonyms

N-tert-butyl-3-nitropyridin-2-amine79371-45-2N-(tert-Butyl)-3-nitropyridin-2-amine2-Pyridinamine, N-(1,1-dimethylethyl)-3-nitro-MFCD00499524SCHEMBL986085VBLKGHCNQATLJX-UHFFFAOYSA-DTXSID601259381EDA37145N-tert-butyl-3-nitro-pyridin-2-amineSB529862-Pyridinamine, N-tert-butyl-3-nitro-
Show more names
BS-32813N-(tert-Butyl)-3-nitro-2-pyridinamine #tert-Butyl-(3-nitro-pyridin-2-yl)-amineCS-0210763EN300-111155G29374N-(1,1-Dimethylethyl)-3-nitro-2-pyridinamineInChI=1/C9H13N3O2/c1-9(2,3)11-8-7(12(13)14)5-4-6-10-8/h4-6H,1-3H3,(H,10,11)

Database identifiers

CAS
79371-45-2
PubChem CID
601972
DTXSID
DTXSID601259381
Nikkaji
J465.179K

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
70.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
309.8 · 309.8±27.0 °C(Predicted)
Density
1.193 · 1.193±0.06 g/cm3(Predicted)
pka
2.89 · 2.89±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers2 total

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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