(±)-trans-1-Allyl-2,5-dimethylpiperazine - CAS 155766-33-9

Name: (±)-trans-1-Allyl-2,5-dimethylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011156
Product Name:	(±)-trans-1-Allyl-2,5-dimethylpiperazine
CAS:	155766-33-9
Synonyms:	(2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine

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Computed Properties

IUPAC Name:	(2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine
Description:	(±)-trans-1-Allyl-2,5-dimethylpiperazine (CAS# 155766-33-9 ) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	C9H18N2
Canonical SMILES:	CC1CNC(CN1CC=C)C
InChI:	InChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChI Key:	VKUXNUOPPQWDMV-DTWKUNHWSA-N
Boiling Point:	60-61 °C / 5 mmHg (lit.)
Density:	0.903 g/mL at 25 °C(lit.)
LogP:	1.12130

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Related Functional Groups

Piperazines

[1217482-26-2]C5H14Cl2N2O
(R)-piperazin-2-ylmethanol dihydrochloride
[16017-53-1]C10H13ClN2O2S
1-(4-Chloro-benzenesulfonyl)-piperazine
[55276-43-2]C5H12N2O2S
1-Methanesulfonylpiperazine
[27106-51-0]C11H16N2O2S
1-(Toluene-4-sulfonyl)piperazine
[84477-72-5]C6H14N2
2,2-Dimethylpiperazine
[400756-19-6]C9H18N2O
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P280, P302+P352, P312, P322, P363, and P501
Signal Word:	Warning

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Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	154.146998583
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1