Basic information
- CAS
515162-20-6- Standard SMILES
CN1CCN(Cc2ccc(CN)cc2)CC1- InChIKey
HILINUGDTTXRNZ-UHFFFAOYSA-N- Molecular formula
- C13H21N3
- Average molar mass
- 219.33 g/mol
- Monoisotopic mass
- 219.17354768
Names & identifiers
- Preferred name
- 4-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine
- IUPAC
- [4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
- English name
- [4-[(4-Methylpiperazin-1-yl)methyl]phenyl]methylamine
- Molecular formula
- C13H21N3
- Molecular weight
- 219.33
Names & synonyms
515162-20-64-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine4-[(4-Methyl-1-piperazinyl)methyl]benzenemethanamineRefChem:2864104-[(4-Methyl-1-piperazinyl)methyl]benzylamine[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamineMFCD08060530(4-[(4-Methylpiperazin-1-yl)methyl]phenyl)methylamine{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methylamine(4-((4-methylpiperazin-1-yl)methyl)phenyl)methanamineBenzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamine
Show more names
AKOS BB-89214-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZYLAMINE4-[(4-Methylpiperazin-1-yl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]-benzenemethanamine1-(4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL)METHANAMINE
Benzenemethanamine, 4-[(4-methyl-1-piperazinyl)methyl]-[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]METHYLAMINE1-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamineSCHEMBL111367DTXSID80428763HILINUGDTTXRNZ-UHFFFAOYSA-NQVA16220SBB095821
Database identifiers
- CAS
515162-20-6- PubChem CID
- 7537610
- DTXSID
DTXSID80428763- EC Number
- 633-428-7
- Nikkaji
- J3.238.158H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Density
- 1.0154 g/mL · 1.0154 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.547
- Flash point
- 110 °C · 110 °C
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture and light
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
- InChIKey
- HILINUGDTTXRNZ-UHFFFAOYSA-N
- SMILES
- CN1CCN(CC1)Cc2ccc(CN)cc2
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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