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Dimethylamine; Hydrochloride

AlkaPlorer ID: AK296565

Synonym: Dimethylammonium chloride

IUPAC Name: N-methylmethanamine

Structure

SMILES: CNC

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InChI: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3

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InChIKey: ROSDSFDQCJNGOL-UHFFFAOYSA-N

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Reference

PubChem CID: 674

CAS: 124-40-3

SuperNatural Ⅲ: SN0331137

NPASS: NPC226340

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 45.085

TPSA？: 12.03

MolLogP？: -0.1644000000000001

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli MIC nan None 10.1016/j.bmcl.2009.09.095
Mus musculus Choline transporter Ki 9418895.97 nM 10.1016/j.bmcl.2010.06.090
Mycobacterium avium Mycobacterium avium MIC nan None 10.1016/j.bmcl.2009.09.095
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
Staphylococcus aureus Staphylococcus aureus MIC nan None 10.1016/j.bmcl.2009.09.095
None NON-PROTEIN TARGET MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
None No relevant target pKa 10.78 None 10.1021/jm00204a009
None No relevant target pKa nan None 10.1021/jm00075a019

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000708 *N[C@@H](Cc1c[nH]c[n+]1[Co-4]123N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O.CNC>>*N[C@@H](Cc1c[nH]c[n+]1[Co-3]123(C)N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O RXN-8100
AKRT002274 CC(=O)N(C)C>>CNC enzymemap_77640
AKRT007883 CCCCCC(=O)N(C)C>>CNC enzymemap_77249
AKRT010354 CN(C)C(=N)NCCC[C@H](N)C(=O)O>>CNC enzymemap_78953
AKRT010355 CN(C)C(=N)NCCC[C@H](N)C(=O)O>>CNC.NC(=O)NCCC[C@H](N)C(=O)O None
AKRT010362 CN(C)C=O>>CNC R02509
AKRT010365 CN(C)C>>CNC RXN-8102
AKRT010373 CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21>>CNC R08346
AKRT010397 CN(C)O>>CNC enzymemap_24285
AKRT010398 CN(C)[C@@H](CC(=O)O)C(=O)O>>CNC enzymemap_85581
AKRT010688 CNC.O=S(=O)(O)CCS>>CSCCS(=O)(=O)O R09999
AKRT010694 CNC>>C=O RXN-12901
AKRT010695 CNC>>CN RXN-8100
AKRT010696 CNC>>CN(C)O enzymemap_11729
AKRT014421 C[N+](C)(C)O>>CNC TRIMETHYLAMINE-OXIDE-ALDOLASE-RXN