Basic information
- Standard SMILES
Cc1ccc(C)c(N2CCNCC2)c1- InChIKey
YRIFWVMRUFKWLM-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(2,5-Xylyl)piperazine
- IUPAC
- 1-(2,5-dimethylphenyl)piperazine
- English name
- 1-(2,5-DIMETHYLPHENYL)PIPERAZINE
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
1-(2,5-Dimethylphenyl)piperazine1013-25-81-(2,5-Xylyl)piperazineEINECS 213-795-6DTXSID20143827RefChem:420601DTXCID1066318213-795-6Piperazine, 1-(2,5-dimethylphenyl)-MFCD00038378(2,5-dimethylphenyl)piperazine1-(2,5-Dimethyl-phenyl)-piperazine
Show more names
AKOS BB-5740AKOS BBS-000035984-(510-Butyl)phenolTIMTEC-BB SBB003654LABOTEST-BB LT004552551-(2,5-Dimethylphenyl)piperazine,99%1-(2,5-DIMETHYLPHENYL)PIPERAZINE 99%
2,5-dimethylphenylpiperazineSCHEMBL255418SCHEMBL3123741SCHEMBL29805912N-(2,5-Dimethylphenyl)piperazine1-(2,5-dimethylphenyl)-piperazine4-(2,5-dimethyl-phenyl)piperazineBAA01325
Database identifiers
- CAS
1013-25-8- PubChem CID
- 70542
- DTXSID
DTXSID20143827- EC Number
- 213-795-6
- Nikkaji
- J217.133C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 42 · 42-46 °C
- Boiling point
- 154 °C · 154°C 10mm
- Density
- 1.032 · 1.0320 (rough estimate)
- refractive index
- 1.5586 · 1.5586 (estimate)
- Flash point
- 154 °C/10mm · 154°C/10mm
- storage temp.
- 0 · 0-6°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.05 · 9.05±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 611229 · 611229
- InChI
- 1S/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
- InChIKey
- YRIFWVMRUFKWLM-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)c(c1)N2CCNCC2
- CAS DataBase Reference
- 1013 · 1013-25-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 24 · 24/25-26
- RIDADR
- 3259 · 3259
- WGK Germany
- 3 · WGK 3
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29335995 · 29335995
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 3259
- hs_code
- 29335995
- risk_code
- 36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 24/25-26
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
常州市马龙化工有限公司18651958646
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山西诺诚生物科技有限公司17835231871 · [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]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
33 records
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