PYCR1-IN-1

CAT: 0127-OR1036464Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1036464Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

709-85-3

Purity

98%

Smiles

C#CCN(C)CC1=CC=C(Br)C=C1

Chemical Information

Pycr1-IN-1

CAS Number	709-85-3
PubChem CID	60670209
IUPAC Name	N-[(4-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
Molecular Formula	C11H12BrN
Molecular Weight	238.12
XLogP	2.6
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

CN(CC#C)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H12BrN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h1,4-7H,8-9H2,2H3

InChIKey

CZHICGIAKKAMAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 709-85-3

CID: 60670209

Formula: C11H12BrN

MW: 238.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.12
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	237.01531
Monoisotopic Mass	237.01531
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR16079-01	1,1,1-Trichloroacetone
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
HY-126271-01	PYCR1-IN-1
MBS8536152-01	PYCR1
040706	PYCR1, CT (PYCR1, Pyrroline-5-carboxylate reductase 1, mitochondrial)
70R-19671	PYCR1 antibody
513313	PYCR1 discontinued
DF12051-BP	PYCR1 Peptide
P3440	PENTR223-PYCR1
MBS6339328-01	PYCR1, CT (PYCR1, Pyrroline-5-carboxylate reductase 1, mitochondrial) (APC)
MBS6339327-01	PYCR1, CT (PYCR1, Pyrroline-5-carboxylate reductase 1, mitochondrial) (AP)