Methenamine 3-chloroallylochloride

1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride
Hexamethylenetetramine chloroallyl chloride
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	UKHVLWKBNNSRRR-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name	1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
Molecular formula chemrof:molecular_formula	C9H16Cl2N4, C9H16ClN4.Cl
Molecular mass chemrof:molecular_mass	251.161
Monoisotopic mass chemrof:monoisotopic_mass	250.0752, 250.075202
SMILES string chemrof:smiles_string	ClC=CC[N+]12CN3CN(CN(C3)C1)C2.[Cl-]

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
beilstein	beilstein:9300843	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=4080-31-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59607	enrich_references.chebi_id_link
PubMed	https://pubmed.ncbi.nlm.nih.gov/15462465	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/20433443	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/20448270	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21616561	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22653068	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26821003	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
319b922b-9550-4485-a017-613d747e629d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
adf262df-9a2d-4f6f-88d8-ab8bdda86c44	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
8af00506-de0b-4e3f-a426-6bf73e49cccf	Environmental → Air → Indoor	EF 3.1	kg	2
aba02901-91d6-4d44-bae8-7156fd32e34a	Environmental → Air → Long-term	EF 3.1	kg	0
989d3ae5-da37-4968-9246-69ac7157e8ee	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4c7670de-3b5a-403f-862c-ff6cd7e78d57	Environmental → Air → Unknown	EF 3.1	kg	2
598d6a98-0961-43d8-83d2-8b1545f899e8	Environmental → Ground → Agricultural	EF 3.1	kg	2
f9844fc1-d973-4fea-8fde-0559ef35b1fd	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
32d55b44-fa24-4c87-ae00-3d9184de935a	Environmental → Ground → Unknown	EF 3.1	kg	2
0165378d-ed22-4d75-b0da-9b01296e1425	Environmental → Water → Long-term	EF 3.1	kg	0
333490e1-dc7f-4bab-9fed-fac8f8d2473c	Environmental → Water → Ocean	EF 3.1	kg	2
bfe83223-4cce-4277-a82a-616e4e443330	Environmental → Water → Surface water	EF 3.1	kg	2
0ba50fcb9bdf9259f3fe2770bdb7de17ccb2c9e4	Environmental → Water → Unconfined aquifer	stepwise algorithm addition	kg	0
b1c40fef-f7ff-440c-9dba-4af567c2173f	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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Methenamine 3-chloroallylochloride

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