1-Benzyl-3-methylpiperazine (HCID 2727520)

Names & identifiers

Preferred name: 1-Benzyl-3-methylpiperazine
IUPAC: 1-benzyl-3-methylpiperazine
English name: 3-Methyl-1-benzyl-piperazine
Molecular formula: C12H18N2
Molecular weight: 190.28

Names & synonyms

1-Benzyl-3-methylpiperazine3138-90-7DTXSID803694453-methyl-1-(phenylmethyl)piperazineRefChem:429884DTXCID90320481675-173-4MFCD015707961-Benzyl-3-methyl-piperazine3-Methyl-1-benzyl-piperazinerac 1-benzyl-3-methyl-piperazine4-Benzyl-2-methyl-piperazine

Show more names

2-METHYL-4-BENZYLPIPERAZINEN-1-BENZYL-3-METHYL-PIPERAZINE1-Benzyl-3-methylpiperazine,95%1-Benzyl-3-methyl-piperazine ,98%1-BENZYL-3-METHYL-PIPERAZINE (RAC)3-Methyl-1-(phenylMethyl)-piperazine

SCHEMBL1307820SCHEMBL11742027SCHEMBL28046989QOFUDSPYJDXBOF-UHFFFAOYSA-N2-methyl-4-(phenylmethyl)piperazineAB30833-methyl-1-(phenylmethyl) piperazineAKOS005255353

Database identifiers

CAS: 3138-90-7
PubChem CID: 2727520
DTXSID: DTXSID80369445
EC Number: 675-173-4

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 125 · 125-126℃/2mm
Density: 0.991 · 0.991±0.06 g/cm3(Predicted)
solubility: Methanol
form: Crystals
pka: 9.31 · 9.31±0.40(Predicted)
color: White
InChI: 1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey: QOFUDSPYJDXBOF-UHFFFAOYSA-N
SMILES: CC1CN(CCN1)Cc2ccccc2
CAS DataBase Reference: 3138 · 3138-90-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,T
Risk Statements: 25 · 25-20/21/22
Safety Statements: 45 · 45-24/25-23
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
hs_code: 29339900
risk_code: 25-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
safety_code: 45-24/25-23
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a