CAS
959245-73-9 Purity
---
959245-73-9 Purity
---
Inquiry Basket
1-Piperazinecarboxylicacid,4-[3-[[(ethoxycarbonyl)methylamino]carbonyl]-4-nitrophenyl]-,1,1-dimethylethyl ester
CAS
959246-47-0
Catalog Number
ACM959246470
Category
Other Products
Molecular Weight
436.458920 [g/mol]
Molecular Formula
C20H28N4O7
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
1-BOC-4-(3-(ETHOXYCARBONYLMETHYLCARBAMOYL)-4-NITROPHENYL)PIPERAZINE
IUPAC Name
tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitrophenyl]piperazine-1-carboxylate
Canonical SMILES
CCOC(=O)N(C)C(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]
InChI Key
NQCYDBTZTWAHMD-UHFFFAOYSA-N
Boiling Point
578.9ºC at 760 mmHg
Flash Point
303.9ºC
Density
1.27g/cm³
Exact Mass
436.19600
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C20H28N4O7.
What are the synonyms of the compound?
The synonyms of the compound are 1-N-BOC-4-[3-(ethoxycarbonylmethylaminocarbonyl)-4-nitrophenyl]piperazine and 1-Piperazinecarboxylicacid,4-[3-[[(ethoxycarbonyl)methylamino]carbonyl]-4-nitrophenyl]-,1,1-dimethylethyl ester.
When was the compound created and last modified?
The compound was created on May 28, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitrophenyl]piperazine-1-carboxylate.
What is the InChIKey of the compound?
The InChIKey of the compound is NQCYDBTZTWAHMD-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass of the compound is 436.19579924 g/mol.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 125?2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
