Basic information
- CAS
20529-23-1- Standard SMILES
COc1ccccc1N1CCN(CCCN)CC1- InChIKey
OVGGXHMQXIQOBR-UHFFFAOYSA-N- Molecular formula
- C14H23N3O
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.18411236
Names & identifiers
- Preferred name
- 1-(3-Aminopropyl)-4-(2-methoxyphenyl)piperazine
- IUPAC
- 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
- English name
- 1-(3-AMinopropyl)-4-(2-Methoxyphenyl)piperazine 97%
- Molecular formula
- C14H23N3O
- Molecular weight
- 249.35
Names & synonyms
20529-23-11-(3-Aminopropyl)-4-(2-methoxyphenyl)piperazineDTXSID30440410RefChem:224187DTXCID90391232664-261-83-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine3-(4-(2-Methoxyphenyl)piperazin-1-yl)propan-1-amineUrapidil Impurity 73-[4-(2-Methoxyphenyl)-1-piperazinyl]propylamineUrapidil ImpurityMFCD04107512
Show more names
Urapidil impuritiesVidarabine Impurity 4Urapidil Impurity DiHClUrapidil Impurity Di-OxalateUrapidil Impurity 4 Dihydrochloride4-(2-Methoxyphenyl)-1-piperazinepropanamine1-(3-AMinopropyl)-4-(2-Methoxyphenyl)piperazine 97%
1-Piperazinepropanamine, 4-(2-methoxyphenyl)-orb3026144SCHEMBL2215388SCHEMBL29395171OVGGXHMQXIQOBR-UHFFFAOYSA-NALBB-033056TD1714AKOS000191255
Database identifiers
- CAS
20529-23-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 393.8 · 393.8±42.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 10.39 · 10.39±0.10(Predicted)
- color
- Pale Yellow to Yellow Waxy
- BRN
- 751376 · 751376
- InChI
- InChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3
- InChIKey
- OVGGXHMQXIQOBR-UHFFFAOYSA-N
- SMILES
- N1(CCCN)CCN(C2=CC=CC=C2OC)CC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2735PSN1 8 / PGII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers61 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [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]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司
Related reactions
34 records
Compound notes
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