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tert-butylamine - Compound Summary (CID 6385)

RN given refers to parent cpd


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

EINECS - European Inventory of Existing Commercial Chemical Substances

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

NTP DBS - Toxicological assay results


Literature

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Depositor-Supplied Synonyms: (Total: 39)
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Properties Computed from Structure:
Molecular Weight73.13684 [g/mol]
Molecular FormulaC4H11N
XLogP3-AA0.3
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass73.089149
MonoIsotopic Mass73.089149
Topological Polar Surface Area26
Heavy Atom Count5
Formal Charge0
Complexity25.1
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2-methylpropan-2-amine
Canonical SMILES: CC(C)(C)N
InChI: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
InChIKey: YBRBMKDOPFTVDT-UHFFFAOYSA-N


Compound Information:
CID 6385   
Create Date: 2004-09-16

Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 53 Links
Similar Conformers: 37 Links    View Conformers


Substance Information:
Substances:
    All: 674 Links
    Same structure: 31 Links
    Mixture: 643 Links

Category: [for same structure substances]
Biological Properties: 4 Links
   ChEBI ( 1 )
SID 53801238 - External ID: CHEBI:44639
   DiscoveryGate ( 1 )
SID 8154050 - External ID: 6385
   DTP/NCI ( 1 )
SID 75023 - External ID: 9571
   LeadScope ( 1 )
SID 49855793 - External ID: LS-1672

Chemical Reactions: 1 Link
   ChemSynthesis ( 1 )
SID 56283980 - External ID: 14004

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 15321025 - External ID: 00120231

Physical Properties: 5 Links
   ChemExper Chemical Directory ( 1 )
SID 3132289 - External ID: sJX@@duU@@
   ChemSynthesis ( 1 )
SID 56283980 - External ID: 14004
   NIST ( 1 )
SID 10346185 - External ID: 2937410984
   NIST Chemistry WebBook ( 1 )
SID 10534927 - External ID: 2937410984
   NMRShiftDB ( 1 )
SID 588365 - External ID: 10009112

Protein 3D Structures: 5 Links
   MMDB ( 4 )
SID 826894 - External ID: 21784.7
SID 17422441 - External ID: 42762.12
SID 17422447 - External ID: 42763.14
SID 26706899 - External ID: 49549.7
   SMID ( 1 )
SID 7889491 - External ID: NTB

Substance Vendors: 14 Links
   Ambinter ( 1 )
SID 48583421 - External ID: ST5214342
   ChemExper Chemical Directory ( 1 )
SID 3132289 - External ID: sJX@@duU@@
   ChemSpider ( 9 )   
   ChemSynthesis ( 1 )
SID 56283980 - External ID: 14004
   Sigma-Aldrich ( 2 )
SID 24864378 - External ID: 391433_ALDRICH
SID 24892107 - External ID: B89205_ALDRICH

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 5224845 - External ID: 4260721

Toxicology: 3 Links
   ChemIDplus ( 1 )
SID 149332 - External ID: 000075649
   EPA DSSTox ( 2 )
SID 48416813 - External ID: 26417
SID 48424143 - External ID: 32125

     

2D

3D

Compound ID6385
Molecular Weight73.13684 [g/mol]
Molecular FormulaC4H11N
XLogP3-AA0.3
H-Bond Donor1
H-Bond Acceptor1


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