Basic information
- CAS
40675-60-3- Standard SMILES
CN1CCN(N)CC1.Cl.Cl- InChIKey
MIQKQAFRWSMHEI-UHFFFAOYSA-N- Molecular formula
- C5H15Cl2N3
- Average molar mass
- 188.1 g/mol
- Monoisotopic mass
- 187.0643029
Names & identifiers
- Preferred name
- 4-Methylpiperazin-1-ylamine dihydrochloride hydrate
- IUPAC
- 4-methylpiperazin-1-amine;dihydrochloride
- English name
- 1-Amino-4-methylpiperazine dihydrochloride monohydrate
- Molecular formula
- C5H14ClN3
- Molecular weight
- 151.64
Names & synonyms
4-Methylpiperazin-1-ylamine dihydrochloride hydrateRefChem:525679255-031-440675-60-34-methylpiperazin-1-amine dihydrochloridePiperazine, 1-amino-4-methyl-, dihydrochloride1-Amino-4-methylpiperazine dihydrochloride4-methylpiperazin-1-amine;dihydrochloride1-Amino-4-methylpiperazine dihydrochloride monohydrateEINECS 255-031-41-Piperazinamine, 4-methyl-, dihydrochlorideorb3029896
Show more names
4-methyl-1-piperazinamindihydrochloride1-amino-4-methylpiperazinedihydrochloride1-amino-4-methyl-piperazindihydrochloridehydron:4-methylpiperazin-1-amine:dichloride4-METHYLPIPERAZINOAMINE DIHYDROCHLORIDE MONOHYDRATE1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE, 1-HYDRATE1-Amino-4-methylpiperazine monohydrate dihydrochloride
SCHEMBL1700097DTXSID40193662Fr16602SBB090689MS-222061-methyl-4-aminopiperazine dihydrochlorideDB-2593724-methylpiperazinylamine, chloride, chloride
Properties
Computed structural properties
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 66
Physicochemical properties
- Melting point
- 230 °C · 230 °C (dec.)(lit.)
- form
- crystals
- InChI
- 1S/C5H13N3.2ClH.H2O/c1-7-2-4-8(6)5-3-7;;;/h2-6H2,1H3;2*1H;1H2
- InChIKey
- UPJWXQREHFVMHA-UHFFFAOYSA-N
- SMILES
- O.Cl.Cl.CN1CCN(N)CC1
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TK8062000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [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]
Related reactions
22 records
Compound notes
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