CAS 4572-03-6 1-(3-Aminopropyl)-4-methylpiperazine (HCID 78328)

Names & identifiers

Preferred name: 1-(3-Aminopropyl)-4-methylpiperazine
IUPAC: 3-(4-methylpiperazin-1-yl)propan-1-amine
English name: 1-(3-Aminopropyl)-4-methylpiperazine
Molecular formula: C8H19N3
Molecular weight: 157.26

Names & synonyms

4572-03-61-(3-Aminopropyl)-4-methylpiperazine1-Piperazinepropanamine, 4-methyl-NSC 60215DTXSID0063527EINECS 224-954-4N-(.gamma.-Aminopropyl)-N'-methylpiperazineRefChem:74276DTXCID7040445N-(gamma-Aminopropyl)-N'-methylpiperazineRGUABPVONIGVAT-UHFFFAOYSA-N3-(4-methylpiperazin-1-yl)propan-1-amine

Show more names

4-Methyl-1-piperazinepropanamine 3HClAKOS BC-0592AKOS B024994RARECHEM AL BW 2461ART-CHEM-BB B024994TIMTEC-BB SBB0072891-(CYCLOPROPYLMETHYL)PIPERAZIN4-methyl-1-piperazinepropanamin

MFCD000146163-(4-Methyl-piperazin-1-yl)-propylamine3-(4-Methyl-1-piperazinyl)propylamineNSC602154-(3-Aminopropyl)-1-methylpiperazine3-(4-Methylpiperazin-1-yl)propylamine4-methyl-1-piperazinepropanamineN-Methyl-N'-(3-aminopropyl)piperazine

Database identifiers

CAS: 4572-03-6
PubChem CID: 78328
DTXSID: DTXSID0063527
ChEMBL: CHEMBL158701
EC Number: 224-954-4
Nikkaji: J297.827J

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.5

Physicochemical properties

Boiling point: 113 · 113-114°C 13mm
Density: 0 · 0,924 g/cm3
refractive index: 1.481 · 1.4810
Flash point: 113 · 113-114°C/13mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.39 · 10.39±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Sensitive: Air Sensitive
BRN: 105964 · 105964
InChI: InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
SMILES: N1(CCCN)CCN(C)CC1
CAS DataBase Reference: 4572 · 4572-03-6(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Piperazinepropanamine, 4-methyl- (4572-03-6)
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: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · 2735
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29335990 · 29335990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (85.7%): 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+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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 (85.7%)

Safety data

tsca: TSCA listed
ridadr: 2735
hs_code: 29335990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Piperazinepropanamine, 4-methyl-: ACTIVE

Applications

Uses1-(3-Aminopropyl)-4-methylpiperazine is used as a precursor in organic synthesis for the preparation of furan-2-carboxylic acid [3-(4-methyl-piperazin-1-yl)-propyl]-amide by reacting with furan-2-carbonyl chloride.