CAS
95469-88-8 Purity
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95469-88-8 Purity
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1-Piperazineaceticacid, 4-(1-methylethyl)-
CAS
95470-68-1
Catalog Number
ACM95470681
Category
Other Products
Molecular Weight
186.25
Molecular Formula
C9H18 N2 O2
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Specification
Synonyms
MolPort-000-156-678, BAS 07570983, (4-Isopropyl-piperazin-1-yl)-acetic acid, CID2759512, 95470-68-1
IUPAC Name
2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILES
CC(C)N1CCN(CC1)CC(=O)O
InChI Key
ABCKTSYFMNBGKM-UHFFFAOYSA-N
Boiling Point
300.7ºC at 760mmHg
Melting Point
114-115ºC
Flash Point
135.7ºC
Density
1.077g/cm³
Exact Mass
186.13700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 2759512?
The molecular formula is C9H18N2O2.
What is the molecular weight of the compound with PubChem CID 2759512?
The molecular weight is 186.25 g/mol.
What is the IUPAC name of the compound with PubChem CID 2759512?
The IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)acetic acid.
What is the InChIKey of the compound with PubChem CID 2759512?
The InChIKey is ABCKTSYFMNBGKM-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound with PubChem CID 2759512?
There is 1 hydrogen bond donor count.
What is the exact mass of the compound with PubChem CID 2759512?
The exact mass is 186.136827821 g/mol.
How many rotatable bond counts are there in the compound with PubChem CID 2759512?
There are 3 rotatable bond counts.
Is the compound with PubChem CID 2759512 canonicalized?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts are there in the compound with PubChem CID 2759512?
There is 1 covalently-bonded unit count.
What is the topological polar surface area of the compound with PubChem CID 2759512?
The topological polar surface area is 43.8 Å2.
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