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N-(2-Piperidylmethyl)-dimethylamine

HCID 252484
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
60717-51-3
Standard SMILES
CN(C)CC1CCCCN1
InChIKey
TVQYLBWVRBQOGI-UHFFFAOYSA-N
Molecular formula
C8H18N2
Average molar mass
142.24 g/mol
Monoisotopic mass
142.14699858

Names & identifiers

Preferred name
N-(2-Piperidylmethyl)-dimethylamine
IUPAC
N,N-dimethyl-1-piperidin-2-ylmethanamine
English name
Dimethyl-piperidin-2-ylmethyl-amine
Molecular formula
C8H18N2
Molecular weight
142.24

Names & synonyms

N-(2-PIPERIDYLMETHYL)-DIMETHYLAMINERefChem:825695633-149-060717-51-3dimethyl(piperidin-2-ylmethyl)amineN,N-dimethyl-1-(piperidin-2-yl)methanamineDimethyl-piperidin-2-ylmethyl-amine2-(DIMETHYLAMINOMETHYL)PIPERIDINEN,N-dimethyl-1-piperidin-2-ylmethanamineMFCD00023136N,N-Dimethyl-1-(2-piperidyl)methanamine2-piperidinemethanamine, n,n-dimethyl-
Show more names
S 35496-1NSC 74470UKRORGSYN-BB BBV-075946N-(2-Piperidylmethyl)dimethylamineN,N-Dimethyl-2-piperidinemethylamineN-(Piperidin-2-ylmethyl)dimethylamine
NSC74470SCHEMBL1233909SCHEMBL1826955Dimethylpiperidin-2-ylmethylamineDTXSID20291251TVQYLBWVRBQOGI-UHFFFAOYSA-N2-(dimethylaminomethyl)-piperidine2-[(dimethylamino)methyl]piperidine

Database identifiers

CAS
60717-51-3
PubChem CID
252484
DTXSID
DTXSID20291251
EC Number
633-149-0

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
91.3

Physicochemical properties

Boiling point
178 ℃ · 178℃
Density
0.868 · 0.868
Flash point
51 ℃ · 51℃
pka
10.19 · 10.19±0.10(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
302 · H302-H318
Precautionary statements
280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H302-H318
Precautionary statements
P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers9 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Related reactions

10 records
New reaction record
HRID 157856 reaction equation
HRID 157856As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 203341 reaction equation
HRID 203341As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 291497 reaction equation
HRID 291497As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 465066 reaction equation
HRID 465066As reactantuspto-grants-1985_10
HRID 465084 reaction equation
HRID 465084As reactantuspto-grants-1985_10
HRID 635654 reaction equation
HRID 635654As reactantuspto-grants-2001_02
HRID 1123107 reaction equation
HRID 1123107As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1371109 reaction equation
HRID 1371109As reactantuspto-grants-2003_06
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Compound notes

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