1-phenylpropan-2-amine
C9H13N | 135.21 | CC(CC1=CC=CC=C1)N
0   HEADER BLOCK: PubChem CID3007
1   HEADER BLOCK: PubChem Info -OEChem-04041707312D
2   HEADER BLOCK: Comment line
3   CONNECTION TABLE (CTAB)-counts line: number of atoms, bonds, and atom lists, the chiral flag setting, and the Ctab version 23 23 0 1 0 0 0 0 0999 V2000
4   CTAB: Atom block: x,y,z coordinates; atomic symbol, any mass difference, charge, stereochemistry, and associated hydrogens for each atom. 3.7320 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5   3.7320 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6   2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7   2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8   4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9   2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10   3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11   2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12   3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13   2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14   4.4682 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15   2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16   2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17   4.2881 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18   5.1350 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19   4.9081 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20   1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21   4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22   4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23   3.1951 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24   1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25   4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
26   2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
27   CTAB: Bond block: two atoms connected by the bond, the bond type, and any bond stereochemistry and topology (chain or ring properties) for each bond. 1 2 1 0 0 0 0
28   1 19 1 0 0 0 0
29   1 20 1 0 0 0 0
30   2 3 1 0 0 0 0
31   2 5 1 0 0 0 0
32   2 11 1 0 0 0 0
33   3 4 1 0 0 0 0
34   3 12 1 0 0 0 0
35   3 13 1 0 0 0 0
36   4 6 2 0 0 0 0
37   4 7 1 0 0 0 0
38   5 14 1 0 0 0 0
39   5 15 1 0 0 0 0
40   5 16 1 0 0 0 0
41   6 8 1 0 0 0 0
42   6 17 1 0 0 0 0
43   7 9 2 0 0 0 0
44   7 18 1 0 0 0 0
45   8 10 2 0 0 0 0
46   8 21 1 0 0 0 0
47   9 10 1 0 0 0 0
48   9 22 1 0 0 0 0
49   10 23 1 0 0 0 0
50   CTAB: Properties block: the charges, radicals etc.M END
N1-C2N1-H19N1-H20C2-C3C2-C5C2-H11C3-C4C3-H12C3-H13C4=C6C4=C6C4-C7C5-H14C5-H15C5-H16C6-C8C6-H17C7=C9C7=C9C7-H18C8=C10C8=C10C8-H21C9-C10C9-H22C10-H23N1C2C3C4C5C6C7C8C9C10H11H12H13H14H15H16H17H18H19H20H21H22H23
250300350400450px