CHEBI:143852 - 1-chlorobutan-2-ol

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ChEBI Name 1-chlorobutan-2-ol ChEBI ID CHEBI:143852 Definition A secondary alcohol that is butan-2-ol in which one of the methyl hydrogen atoms is substituted by chlorine. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H9ClO Net Charge 0 Average Mass 108.570 Monoisotopic Mass 108.03419 InChI InChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3 InChIKey VNBFUGOVQMFIRN-UHFFFAOYSA-N SMILES ClCC(CC)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 1-chlorobutan-2-ol (CHEBI:143852) has role human metabolite (CHEBI:77746) 1-chlorobutan-2-ol (CHEBI:143852) is a organochlorine compound (CHEBI:36683) 1-chlorobutan-2-ol (CHEBI:143852) is a secondary alcohol (CHEBI:35681) 1-chlorobutan-2-ol (CHEBI:143852) is a volatile organic compound (CHEBI:134179) IUPAC Name 1-chlorobutan-2-ol Synonyms Sources 1-(chloromethyl)-1-propanol ChEBI 1-chloro-2-butanol ChEBI 1-chloro-2-hydroxybutane ChEBI α-butylene chlorohydrin ChEBI Registry Number Type Source 1873-25-2 CAS Registry Number ChEBI Citation Type Source 30531924 PubMed citation Europe PMC Last Modified 04 June 2019