N-(3-Aminopropyl)carbamic acid tertbutylester

• Catalog Number: ACM75178960
• Product Name: N-(3-Aminopropyl)carbamic acid tertbutylester
• CAS: 75178-96-0
• Category: Organic Phosphine Compounds
• Synonyms: tert-butyl N-(3-aminopropyl)carbamate
• IUPAC Name: tert-butylN-(3-aminopropyl)carbamate
• Molecular Weight: 174.24
• Molecular Formula: C₈H₁₈N₂O₂
• Canonical SMILES: CC(C)(C)OC(=O)NCCCN
• InChI Key: POHWAQLZBIMPRN-UHFFFAOYSA-N
• Boiling Point: 203ºC
• Melting Point: 22ºC
• Flash Point: >110ºC
• Density: 0.998
• Appearance: low-melting solid
• Exact Mass: 174.13700
• Hazard Statements: C:Corrosive
• Packing Group: III
• Safety Description: S26-S36/37/39-S45
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H18N2O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 174.24 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl N-(3-aminopropyl)carbamate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11).

What is the InChIKey of the compound?

The InChIKey of the compound is POHWAQLZBIMPRN-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 75178-96-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.3.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 64.4Ų.