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7209-38-3 molecular structure
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3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine

ChemBase ID: 89515
Molecular Formular: C10H24N4
Molecular Mass: 200.32436
Monoisotopic Mass: 200.20009679
SMILES and InChIs

SMILES:
N1(CCN(CCCN)CC1)CCCN
Canonical SMILES:
NCCCN1CCN(CC1)CCCN
InChI:
InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2
InChIKey:
XUSNPFGLKGCWGN-UHFFFAOYSA-N

Cite this record

CBID:89515 http://www.chembase.cn/molecule-89515.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine
IUPAC Traditional name
1,4-piperazinedipropanamine
Synonyms
1,4-Bis(3-aminopropyl)piperazine
1,4-bis(3-AMINOPROPYL)PIPERAZINE
3,3'-(Piperazine-1,4-diyl)dipropan-1-amine
1,4-Bis-(3-aminoprop-1-yl)piperazine
3,3'-(Piperazine-1,4-diyl)bis(propan-1-amine)
1,4-双(3-氨丙基)哌嗪
1,4-双(3-氨基丙基)哌嗪
CAS Number
7209-38-3
EC Number
230-589-1
MDL Number
MFCD00006161
Beilstein Number
111747
PubChem SID
24854378
162076395
PubChem CID
81629

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -9.5354  LogD (pH = 7.4) -6.9944873 
Log P -1.4367591  Molar Refractivity 61.6686 cm3
Polarizability 24.545666 Å3 Polar Surface Area 58.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
14°C expand Show data source
15 °C(lit.) expand Show data source
15°C expand Show data source
Boiling Point
150-152 °C/2 mmHg(lit.) expand Show data source
150-152°C/2mm expand Show data source
150-152°C/2mm expand Show data source
Flash Point
162°C(323°F) expand Show data source
163 °C expand Show data source
163°C expand Show data source
325.4 °F expand Show data source
Density
0.973 expand Show data source
0.973 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5018 expand Show data source
n20/D 1.502(lit.) expand Show data source
Vapor Density
6.9 (vs air) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive expand Show data source
RTECS
TK8700000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-27-28-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Gene Information
rat ... Grin2a(24409) expand Show data source
Purity
≥99% expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H24N4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221748 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 239488 external link
Packaging
50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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