2-Azido-4-methyl-pentanoic acid cyclohexanamine

CAT: 0926-LBC67079-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-LBC67079-01Size:5 g

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CAS Number

1286670-79-8

MDL Number

MFCD11223824

Smiles

CC (C) CC (C (=O) O) N=[N+]=[N-].C1CCC (CC1) N

Molecular Formula

C12H24N4O2

Molecular Weight

256.34 g/mol

Controlled

Chemical Information

L-azidoleucine CHA salt

CAS Number	1286670-79-8
PubChem CID	66519947
IUPAC Name	(2S)-2-azido-4-methylpentanoic acid;cyclohexanamine
Molecular Formula	C12H24N4O2
Molecular Weight	256.34
Topological Polar Surface Area	77.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	230

SMILES

CC(C)C[C@@H](C(=O)O)N=[N+]=[N-].C1CCC(CC1)N

InChI

InChI=1S/C6H11N3O2.C6H13N/c1-4(2)3-5(6(10)11)8-9-7;7-6-4-2-1-3-5-6/h4-5H,3H2,1-2H3,(H,10,11);6H,1-5,7H2/t5-;/m0./s1

InChIKey

RJGQZQQFVRJKOG-JEDNCBNOSA-N

Chemical Structure

2D Structure

CAS: 1286670-79-8

CID: 66519947

Formula: C12H24N4O2

MW: 256.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.34
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	256.18992602
Monoisotopic Mass	256.18992602
Topological Polar Surface Area	77.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
FA45169-01	5-Azido-pentanoic acid
SCA36840-01	4-Methyl-2- (4-methylbenzenesulfonamido) pentanoic acid
FM01022	2-Methyl pentanoic acid
AIA35020-01	4-Methyl-2- (2-methylphenyl) pentanoic acid
FAA69262-01	4-Methyl-2- (2-methylpropyl) pentanoic acid
IJB49187-01	4-Methyl-2- (2-phenylethyl) pentanoic acid
BAA22080-01	(2S) -4-Methyl-2- (4-methylbenzenesulfonamido) pentanoic acid
SEA61145-01	(2S) -4-Methyl-2- (4-phenylbutanamido) pentanoic acid
JQB26027-01	4-Methyl-2- ({[ (4-methylphenyl) methyl]carbamoyl}amino) pentanoic acid
VKC59678-01	4-Methyl-2- ({[methyl (propyl) carbamoyl]amino}methyl) pentanoic acid

Catalog	Name
OR1012724	Cyclohexanamine;2-Phosphonooxyprop-2-Enoic Acid
164617	L-Ascorbic Acid 2- (Dihydrogen Phosphate) Cyclohexanamine-13C6
TRC-A787010-10MG	L-Ascorbic Acid 2-(Dihydrogen Phosphate) Cyclohexanamine-13C6
Q-2725.0005	5-Azido-pentanoic acid
sc-306913	2-Benzenesulfonylamino-4-methyl-pentanoic acid
sc-277502	4-Methyl-2-ureido-pentanoic acid
TRC-M358550-50G	2-Methyl-pentanoic Acid
sc-352495	4-Methyl-2- (2-methyl-benzoylamino) -pentanoic acid
OR85601-01	2-[ (Boc-amino) methyl]-4-methyl-pentanoic acid
T17334	4-Methyl-4- (methyldisulfanyl) pentanoic acid